NMR structure of U21-hexatoxin-Hi1a toxin from Australian Funnel-web spider Hadronyche infensa
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | disulfide | sing | 1:CYS23:SG | 1:CYS37:SG |
2 | disulfide | sing | 1:CYS30:SG | 1:CYS49:SG |
3 | disulfide | sing | 1:CYS36:SG | 1:CYS64:SG |
4 | disulfide | sing | 1:CYS67:SG | 1:CYS74:SG |
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 1 | SER | HA | H | 4.160 | 0.000 | 1 |
2 | 1 | 1 | SER | HB2 | H | 3.895 | 0.000 | 2 |
3 | 1 | 1 | SER | HB3 | H | 3.895 | 0.000 | 2 |
4 | 1 | 1 | SER | C | C | 170.660 | 0.000 | 1 |
5 | 1 | 1 | SER | CA | C | 57.236 | 0.000 | 1 |
6 | 1 | 1 | SER | CB | C | 63.331 | 0.000 | 1 |
7 | 1 | 2 | ASN | H | H | 8.868 | 0.003 | 1 |
8 | 1 | 2 | ASN | HA | H | 4.764 | 0.000 | 1 |
9 | 1 | 2 | ASN | HB2 | H | 2.879 | 0.001 | 2 |
10 | 1 | 2 | ASN | HB3 | H | 2.828 | 0.003 | 2 |
11 | 1 | 2 | ASN | HD21 | H | 7.020 | 0.000 | 2 |
12 | 1 | 2 | ASN | HD22 | H | 7.585 | 0.000 | 2 |
13 | 1 | 2 | ASN | C | C | 176.137 | 0.000 | 1 |
14 | 1 | 2 | ASN | CA | C | 52.922 | 0.000 | 1 |
15 | 1 | 2 | ASN | CB | C | 39.273 | 0.004 | 1 |
16 | 1 | 2 | ASN | N | N | 120.324 | 0.074 | 1 |
17 | 1 | 2 | ASN | ND2 | N | 112.916 | 0.004 | 1 |
18 | 1 | 3 | ARG | H | H | 8.444 | 0.003 | 1 |
19 | 1 | 3 | ARG | HA | H | 3.792 | 0.000 | 1 |
20 | 1 | 3 | ARG | HB2 | H | 1.389 | 0.000 | 2 |
21 | 1 | 3 | ARG | HB3 | H | 1.460 | 0.000 | 2 |
22 | 1 | 3 | ARG | C | C | 176.997 | 0.000 | 1 |
23 | 1 | 3 | ARG | CA | C | 58.600 | 0.000 | 1 |
24 | 1 | 3 | ARG | CB | C | 29.270 | 0.004 | 1 |
25 | 1 | 3 | ARG | N | N | 118.870 | 0.009 | 1 |
26 | 1 | 4 | TRP | H | H | 8.015 | 0.001 | 1 |
27 | 1 | 4 | TRP | HA | H | 4.350 | 0.000 | 1 |
28 | 1 | 4 | TRP | HB2 | H | 3.384 | 0.000 | 2 |
29 | 1 | 4 | TRP | HB3 | H | 3.252 | 0.000 | 2 |
30 | 1 | 4 | TRP | HD1 | H | 7.245 | 0.001 | 1 |
31 | 1 | 4 | TRP | HE1 | H | 10.162 | 0.000 | 1 |
32 | 1 | 4 | TRP | HE3 | H | 7.640 | 0.001 | 1 |
33 | 1 | 4 | TRP | HZ2 | H | 7.450 | 0.001 | 1 |
34 | 1 | 4 | TRP | HZ3 | H | 7.083 | 0.001 | 1 |
35 | 1 | 4 | TRP | HH2 | H | 7.215 | 0.001 | 1 |
36 | 1 | 4 | TRP | C | C | 179.170 | 0.000 | 1 |
37 | 1 | 4 | TRP | CA | C | 60.088 | 0.000 | 1 |
38 | 1 | 4 | TRP | CB | C | 28.247 | 0.001 | 1 |
39 | 1 | 4 | TRP | CD1 | C | 127.540 | 0.019 | 1 |
40 | 1 | 4 | TRP | CE3 | C | 120.748 | 0.010 | 1 |
41 | 1 | 4 | TRP | CZ2 | C | 114.833 | 0.007 | 1 |
42 | 1 | 4 | TRP | CZ3 | C | 122.318 | 0.082 | 1 |
43 | 1 | 4 | TRP | CH2 | C | 125.022 | 0.001 | 1 |
44 | 1 | 4 | TRP | N | N | 122.139 | 0.029 | 1 |
45 | 1 | 4 | TRP | NE1 | N | 129.405 | 0.000 | 1 |
46 | 1 | 5 | ASN | H | H | 8.142 | 0.002 | 1 |
47 | 1 | 5 | ASN | HA | H | 4.649 | 0.000 | 1 |
48 | 1 | 5 | ASN | HB2 | H | 2.935 | 0.000 | 2 |
49 | 1 | 5 | ASN | HB3 | H | 2.787 | 0.000 | 2 |
50 | 1 | 5 | ASN | HD21 | H | 6.972 | 0.000 | 2 |
51 | 1 | 5 | ASN | HD22 | H | 7.683 | 0.000 | 2 |
52 | 1 | 5 | ASN | C | C | 175.412 | 0.000 | 1 |
53 | 1 | 5 | ASN | CA | C | 54.982 | 0.000 | 1 |
54 | 1 | 5 | ASN | CB | C | 38.428 | 0.001 | 1 |
55 | 1 | 5 | ASN | N | N | 119.554 | 0.010 | 1 |
56 | 1 | 5 | ASN | ND2 | N | 111.574 | 0.007 | 1 |
57 | 1 | 6 | LEU | H | H | 7.315 | 0.004 | 1 |
58 | 1 | 6 | LEU | HA | H | 4.388 | 0.000 | 1 |
59 | 1 | 6 | LEU | HB2 | H | 2.071 | 0.000 | 2 |
60 | 1 | 6 | LEU | HB3 | H | 1.468 | 0.004 | 2 |
61 | 1 | 6 | LEU | HG | H | 0.794 | 0.000 | 1 |
62 | 1 | 6 | LEU | HD11 | H | 0.706 | 0.000 | 2 |
63 | 1 | 6 | LEU | HD12 | H | 0.706 | 0.000 | 2 |
64 | 1 | 6 | LEU | HD13 | H | 0.706 | 0.000 | 2 |
65 | 1 | 6 | LEU | C | C | 176.011 | 0.000 | 1 |
66 | 1 | 6 | LEU | CA | C | 54.795 | 0.000 | 1 |
67 | 1 | 6 | LEU | CB | C | 42.019 | 0.005 | 1 |
68 | 1 | 6 | LEU | CG | C | 26.662 | 0.001 | 1 |
69 | 1 | 6 | LEU | CD1 | C | 22.950 | 0.001 | 1 |
70 | 1 | 6 | LEU | N | N | 118.238 | 0.002 | 1 |
71 | 1 | 7 | GLY | H | H | 7.593 | 0.002 | 1 |
72 | 1 | 7 | GLY | HA2 | H | 4.699 | 0.000 | 2 |
73 | 1 | 7 | GLY | HA3 | H | 3.670 | 0.000 | 2 |
74 | 1 | 7 | GLY | C | C | 175.513 | 0.000 | 1 |
75 | 1 | 7 | GLY | CA | C | 46.281 | 0.000 | 1 |
76 | 1 | 7 | GLY | N | N | 105.064 | 0.000 | 1 |
77 | 1 | 8 | TYR | H | H | 7.680 | 0.001 | 1 |
78 | 1 | 8 | TYR | HA | H | 3.337 | 0.003 | 1 |
79 | 1 | 8 | TYR | HB2 | H | 2.512 | 0.000 | 2 |
80 | 1 | 8 | TYR | HB3 | H | 2.512 | 0.000 | 2 |
81 | 1 | 8 | TYR | HD1 | H | 6.323 | 0.000 | 1 |
82 | 1 | 8 | TYR | HD2 | H | 6.323 | 0.000 | 1 |
83 | 1 | 8 | TYR | HE1 | H | 6.585 | 0.002 | 1 |
84 | 1 | 8 | TYR | HE2 | H | 6.585 | 0.002 | 1 |
85 | 1 | 8 | TYR | C | C | 175.220 | 0.000 | 1 |
86 | 1 | 8 | TYR | CA | C | 61.930 | 0.001 | 1 |
87 | 1 | 8 | TYR | CB | C | 39.607 | 0.000 | 1 |
88 | 1 | 8 | TYR | CD2 | C | 132.466 | 0.000 | 1 |
89 | 1 | 8 | TYR | CE2 | C | 118.290 | 0.000 | 1 |
90 | 1 | 8 | TYR | N | N | 118.102 | 0.005 | 1 |
91 | 1 | 9 | GLY | H | H | 8.774 | 0.002 | 1 |
92 | 1 | 9 | GLY | HA2 | H | 3.825 | 0.000 | 2 |
93 | 1 | 9 | GLY | HA3 | H | 3.588 | 0.000 | 2 |
94 | 1 | 9 | GLY | C | C | 174.536 | 0.000 | 1 |
95 | 1 | 9 | GLY | CA | C | 44.922 | 0.000 | 1 |
96 | 1 | 9 | GLY | N | N | 102.441 | 0.001 | 1 |
97 | 1 | 10 | ILE | H | H | 7.555 | 0.002 | 1 |
98 | 1 | 10 | ILE | HA | H | 3.953 | 0.019 | 1 |
99 | 1 | 10 | ILE | HB | H | 1.602 | 0.001 | 1 |
100 | 1 | 10 | ILE | HG12 | H | 1.153 | 0.000 | 2 |
101 | 1 | 10 | ILE | HG13 | H | 0.718 | 0.000 | 2 |
102 | 1 | 10 | ILE | HG21 | H | -0.128 | 0.000 | 1 |
103 | 1 | 10 | ILE | HG22 | H | -0.128 | 0.000 | 1 |
104 | 1 | 10 | ILE | HG23 | H | -0.128 | 0.000 | 1 |
105 | 1 | 10 | ILE | HD11 | H | 0.509 | 0.001 | 1 |
106 | 1 | 10 | ILE | HD12 | H | 0.509 | 0.001 | 1 |
107 | 1 | 10 | ILE | HD13 | H | 0.509 | 0.001 | 1 |
108 | 1 | 10 | ILE | CA | C | 58.758 | 0.000 | 1 |
109 | 1 | 10 | ILE | CB | C | 37.278 | 0.046 | 1 |
110 | 1 | 10 | ILE | CG1 | C | 27.837 | 0.100 | 1 |
111 | 1 | 10 | ILE | CG2 | C | 15.470 | 0.000 | 1 |
112 | 1 | 10 | ILE | CD1 | C | 12.680 | 0.012 | 1 |
113 | 1 | 10 | ILE | N | N | 126.328 | 0.002 | 1 |
114 | 1 | 11 | PRO | HA | H | 4.089 | 0.004 | 1 |
115 | 1 | 11 | PRO | HB2 | H | 1.764 | 0.000 | 2 |
116 | 1 | 11 | PRO | HB3 | H | 2.132 | 0.000 | 2 |
117 | 1 | 11 | PRO | HG2 | H | 2.043 | 0.000 | 2 |
118 | 1 | 11 | PRO | HG3 | H | 1.852 | 0.000 | 2 |
119 | 1 | 11 | PRO | HD2 | H | 3.333 | 0.001 | 2 |
120 | 1 | 11 | PRO | HD3 | H | 3.995 | 0.007 | 2 |
121 | 1 | 11 | PRO | C | C | 176.109 | 0.000 | 1 |
122 | 1 | 11 | PRO | CA | C | 64.428 | 0.000 | 1 |
123 | 1 | 11 | PRO | CB | C | 31.925 | 0.024 | 1 |
124 | 1 | 11 | PRO | CG | C | 27.620 | 0.000 | 1 |
125 | 1 | 11 | PRO | CD | C | 51.442 | 0.056 | 1 |
126 | 1 | 12 | HIS | H | H | 8.210 | 0.003 | 1 |
127 | 1 | 12 | HIS | HA | H | 4.716 | 0.000 | 1 |
128 | 1 | 12 | HIS | HB2 | H | 2.646 | 0.000 | 2 |
129 | 1 | 12 | HIS | HB3 | H | 2.724 | 0.000 | 2 |
130 | 1 | 12 | HIS | HD2 | H | 6.318 | 0.000 | 1 |
131 | 1 | 12 | HIS | HE1 | H | 8.194 | 0.000 | 1 |
132 | 1 | 12 | HIS | CA | C | 54.779 | 0.000 | 1 |
133 | 1 | 12 | HIS | CB | C | 30.542 | 0.000 | 1 |
134 | 1 | 12 | HIS | CD2 | C | 119.012 | 0.000 | 1 |
135 | 1 | 12 | HIS | CE1 | C | 136.673 | 0.000 | 1 |
136 | 1 | 12 | HIS | N | N | 120.049 | 0.005 | 1 |
137 | 1 | 13 | LYS | H | H | 8.347 | 0.003 | 1 |
138 | 1 | 13 | LYS | HA | H | 4.294 | 0.001 | 1 |
139 | 1 | 13 | LYS | HB2 | H | 1.576 | 0.000 | 2 |
140 | 1 | 13 | LYS | HB3 | H | 1.576 | 0.000 | 2 |
141 | 1 | 13 | LYS | C | C | 175.764 | 0.000 | 1 |
142 | 1 | 13 | LYS | CA | C | 55.019 | 0.000 | 1 |
143 | 1 | 13 | LYS | CB | C | 34.380 | 0.000 | 1 |
144 | 1 | 13 | LYS | N | N | 120.944 | 0.003 | 1 |
145 | 1 | 14 | GLN | H | H | 8.708 | 0.003 | 1 |
146 | 1 | 14 | GLN | HA | H | 4.469 | 0.000 | 1 |
147 | 1 | 14 | GLN | HB2 | H | 2.006 | 0.000 | 2 |
148 | 1 | 14 | GLN | HB3 | H | 1.794 | 0.000 | 2 |
149 | 1 | 14 | GLN | HG2 | H | 2.121 | 0.000 | 2 |
150 | 1 | 14 | GLN | HG3 | H | 2.338 | 0.000 | 2 |
151 | 1 | 14 | GLN | HE21 | H | 6.853 | 0.007 | 2 |
152 | 1 | 14 | GLN | HE22 | H | 7.857 | 0.000 | 2 |
153 | 1 | 14 | GLN | C | C | 174.396 | 0.000 | 1 |
154 | 1 | 14 | GLN | CA | C | 56.197 | 0.000 | 1 |
155 | 1 | 14 | GLN | CB | C | 28.996 | 0.006 | 1 |
156 | 1 | 14 | GLN | CG | C | 34.764 | 0.013 | 1 |
157 | 1 | 14 | GLN | N | N | 124.765 | 0.001 | 1 |
158 | 1 | 14 | GLN | NE2 | N | 113.212 | 0.004 | 1 |
159 | 1 | 15 | VAL | H | H | 7.266 | 0.005 | 1 |
160 | 1 | 15 | VAL | HA | H | 4.458 | 0.003 | 1 |
161 | 1 | 15 | VAL | HB | H | 2.076 | 0.000 | 1 |
162 | 1 | 15 | VAL | HG11 | H | 0.764 | 0.000 | 2 |
163 | 1 | 15 | VAL | HG12 | H | 0.764 | 0.000 | 2 |
164 | 1 | 15 | VAL | HG13 | H | 0.764 | 0.000 | 2 |
165 | 1 | 15 | VAL | HG21 | H | 0.684 | 0.000 | 2 |
166 | 1 | 15 | VAL | HG22 | H | 0.684 | 0.000 | 2 |
167 | 1 | 15 | VAL | HG23 | H | 0.684 | 0.000 | 2 |
168 | 1 | 15 | VAL | C | C | 174.500 | 0.000 | 1 |
169 | 1 | 15 | VAL | CA | C | 59.072 | 0.000 | 1 |
170 | 1 | 15 | VAL | CB | C | 35.372 | 0.007 | 1 |
171 | 1 | 15 | VAL | CG1 | C | 21.583 | 0.000 | 1 |
172 | 1 | 15 | VAL | CG2 | C | 18.658 | 0.000 | 1 |
173 | 1 | 15 | VAL | N | N | 120.884 | 0.008 | 1 |
174 | 1 | 16 | LYS | H | H | 8.352 | 0.005 | 1 |
175 | 1 | 16 | LYS | HA | H | 4.307 | 0.006 | 1 |
176 | 1 | 16 | LYS | HB2 | H | 1.563 | 0.000 | 2 |
177 | 1 | 16 | LYS | HB3 | H | 1.563 | 0.000 | 2 |
178 | 1 | 16 | LYS | HG2 | H | 1.299 | 0.000 | 2 |
179 | 1 | 16 | LYS | HG3 | H | 1.185 | 0.000 | 2 |
180 | 1 | 16 | LYS | HD2 | H | 1.466 | 0.000 | 2 |
181 | 1 | 16 | LYS | HE2 | H | 2.854 | 0.000 | 2 |
182 | 1 | 16 | LYS | HE3 | H | 2.854 | 0.000 | 2 |
183 | 1 | 16 | LYS | C | C | 177.067 | 0.000 | 1 |
184 | 1 | 16 | LYS | CA | C | 56.911 | 0.000 | 1 |
185 | 1 | 16 | LYS | CB | C | 33.418 | 0.031 | 1 |
186 | 1 | 16 | LYS | CG | C | 25.628 | 0.007 | 1 |
187 | 1 | 16 | LYS | CD | C | 29.099 | 0.000 | 1 |
188 | 1 | 16 | LYS | CE | C | 41.995 | 0.000 | 1 |
189 | 1 | 16 | LYS | N | N | 121.200 | 0.055 | 1 |
190 | 1 | 17 | LEU | H | H | 9.040 | 0.001 | 1 |
191 | 1 | 17 | LEU | HA | H | 4.424 | 0.000 | 1 |
192 | 1 | 17 | LEU | HB2 | H | 1.968 | 0.009 | 2 |
193 | 1 | 17 | LEU | HB3 | H | 1.427 | 0.000 | 2 |
194 | 1 | 17 | LEU | HG | H | 1.533 | 0.000 | 1 |
195 | 1 | 17 | LEU | HD11 | H | 0.824 | 0.000 | 2 |
196 | 1 | 17 | LEU | HD12 | H | 0.824 | 0.000 | 2 |
197 | 1 | 17 | LEU | HD13 | H | 0.824 | 0.000 | 2 |
198 | 1 | 17 | LEU | HD21 | H | 0.822 | 0.000 | 2 |
199 | 1 | 17 | LEU | HD22 | H | 0.822 | 0.000 | 2 |
200 | 1 | 17 | LEU | HD23 | H | 0.822 | 0.000 | 2 |
201 | 1 | 17 | LEU | CA | C | 53.577 | 0.000 | 1 |
202 | 1 | 17 | LEU | CB | C | 40.092 | 0.001 | 1 |
203 | 1 | 17 | LEU | CG | C | 27.397 | 0.001 | 1 |
204 | 1 | 17 | LEU | CD1 | C | 25.816 | 0.000 | 1 |
205 | 1 | 17 | LEU | CD2 | C | 22.332 | 0.000 | 1 |
206 | 1 | 17 | LEU | N | N | 125.304 | 0.001 | 1 |
207 | 1 | 18 | PRO | HA | H | 4.218 | 0.005 | 1 |
208 | 1 | 18 | PRO | HB2 | H | 2.305 | 0.000 | 2 |
209 | 1 | 18 | PRO | HB3 | H | 1.781 | 0.000 | 2 |
210 | 1 | 18 | PRO | HG2 | H | 2.019 | 0.000 | 2 |
211 | 1 | 18 | PRO | HG3 | H | 1.899 | 0.000 | 2 |
212 | 1 | 18 | PRO | HD2 | H | 3.727 | 0.000 | 2 |
213 | 1 | 18 | PRO | HD3 | H | 3.673 | 0.000 | 2 |
214 | 1 | 18 | PRO | C | C | 176.658 | 0.000 | 1 |
215 | 1 | 18 | PRO | CA | C | 65.499 | 0.000 | 1 |
216 | 1 | 18 | PRO | CB | C | 31.586 | 0.007 | 1 |
217 | 1 | 18 | PRO | CG | C | 27.785 | 0.000 | 1 |
218 | 1 | 18 | PRO | CD | C | 50.595 | 0.000 | 1 |
219 | 1 | 19 | ASN | H | H | 7.286 | 0.005 | 1 |
220 | 1 | 19 | ASN | HA | H | 4.446 | 0.000 | 1 |
221 | 1 | 19 | ASN | HB2 | H | 3.127 | 0.000 | 2 |
222 | 1 | 19 | ASN | HB3 | H | 2.674 | 0.000 | 2 |
223 | 1 | 19 | ASN | HD21 | H | 6.550 | 0.000 | 2 |
224 | 1 | 19 | ASN | HD22 | H | 7.188 | 0.000 | 2 |
225 | 1 | 19 | ASN | C | C | 176.706 | 0.000 | 1 |
226 | 1 | 19 | ASN | CA | C | 52.653 | 0.000 | 1 |
227 | 1 | 19 | ASN | CB | C | 37.144 | 0.000 | 1 |
228 | 1 | 19 | ASN | N | N | 111.696 | 0.023 | 1 |
229 | 1 | 19 | ASN | ND2 | N | 107.526 | 0.002 | 1 |
230 | 1 | 20 | GLY | H | H | 8.356 | 0.002 | 1 |
231 | 1 | 20 | GLY | HA2 | H | 4.251 | 0.000 | 2 |
232 | 1 | 20 | GLY | HA3 | H | 3.466 | 0.003 | 2 |
233 | 1 | 20 | GLY | C | C | 174.046 | 0.000 | 1 |
234 | 1 | 20 | GLY | CA | C | 45.284 | 0.001 | 1 |
235 | 1 | 20 | GLY | N | N | 108.448 | 0.014 | 1 |
236 | 1 | 21 | GLN | H | H | 7.760 | 0.001 | 1 |
237 | 1 | 21 | GLN | HA | H | 4.294 | 0.004 | 1 |
238 | 1 | 21 | GLN | HB2 | H | 2.032 | 0.000 | 2 |
239 | 1 | 21 | GLN | HB3 | H | 1.940 | 0.001 | 2 |
240 | 1 | 21 | GLN | HG2 | H | 2.149 | 0.000 | 2 |
241 | 1 | 21 | GLN | HG3 | H | 2.149 | 0.000 | 2 |
242 | 1 | 21 | GLN | HE21 | H | 6.781 | 0.000 | 2 |
243 | 1 | 21 | GLN | HE22 | H | 7.441 | 0.000 | 2 |
244 | 1 | 21 | GLN | C | C | 175.341 | 0.000 | 1 |
245 | 1 | 21 | GLN | CA | C | 54.393 | 0.009 | 1 |
246 | 1 | 21 | GLN | CB | C | 29.673 | 0.015 | 1 |
247 | 1 | 21 | GLN | CG | C | 33.778 | 0.000 | 1 |
248 | 1 | 21 | GLN | N | N | 119.352 | 0.020 | 1 |
249 | 1 | 21 | GLN | NE2 | N | 112.919 | 0.001 | 1 |
250 | 1 | 22 | LEU | H | H | 8.455 | 0.003 | 1 |
251 | 1 | 22 | LEU | HA | H | 4.378 | 0.016 | 1 |
252 | 1 | 22 | LEU | HB2 | H | 1.363 | 0.002 | 2 |
253 | 1 | 22 | LEU | HB3 | H | 1.600 | 0.000 | 2 |
254 | 1 | 22 | LEU | HG | H | 1.649 | 0.002 | 1 |
255 | 1 | 22 | LEU | HD11 | H | 0.761 | 0.000 | 2 |
256 | 1 | 22 | LEU | HD12 | H | 0.761 | 0.000 | 2 |
257 | 1 | 22 | LEU | HD13 | H | 0.761 | 0.000 | 2 |
258 | 1 | 22 | LEU | HD21 | H | 0.617 | 0.000 | 2 |
259 | 1 | 22 | LEU | HD22 | H | 0.617 | 0.000 | 2 |
260 | 1 | 22 | LEU | HD23 | H | 0.617 | 0.000 | 2 |
261 | 1 | 22 | LEU | C | C | 178.201 | 0.000 | 1 |
262 | 1 | 22 | LEU | CA | C | 55.100 | 0.000 | 1 |
263 | 1 | 22 | LEU | CB | C | 42.538 | 0.023 | 1 |
264 | 1 | 22 | LEU | CG | C | 26.952 | 0.037 | 1 |
265 | 1 | 22 | LEU | CD1 | C | 24.999 | 0.000 | 1 |
266 | 1 | 22 | LEU | CD2 | C | 23.055 | 0.000 | 1 |
267 | 1 | 22 | LEU | N | N | 120.745 | 0.007 | 1 |
268 | 1 | 23 | CYS | H | H | 8.352 | 0.002 | 1 |
269 | 1 | 23 | CYS | HA | H | 4.480 | 0.000 | 1 |
270 | 1 | 23 | CYS | HB2 | H | 3.193 | 0.000 | 2 |
271 | 1 | 23 | CYS | HB3 | H | 2.981 | 0.000 | 2 |
272 | 1 | 23 | CYS | C | C | 172.428 | 0.000 | 1 |
273 | 1 | 23 | CYS | CA | C | 55.105 | 0.000 | 1 |
274 | 1 | 23 | CYS | CB | C | 40.920 | 0.020 | 1 |
275 | 1 | 23 | CYS | N | N | 117.356 | 0.001 | 1 |
276 | 1 | 24 | LYS | H | H | 9.030 | 0.001 | 1 |
277 | 1 | 24 | LYS | HA | H | 4.366 | 0.005 | 1 |
278 | 1 | 24 | LYS | HB2 | H | 1.812 | 0.000 | 2 |
279 | 1 | 24 | LYS | HB3 | H | 1.860 | 0.000 | 2 |
280 | 1 | 24 | LYS | HG2 | H | 1.596 | 0.000 | 2 |
281 | 1 | 24 | LYS | HG3 | H | 1.417 | 0.000 | 2 |
282 | 1 | 24 | LYS | HD2 | H | 1.809 | 0.000 | 2 |
283 | 1 | 24 | LYS | HD3 | H | 1.451 | 0.000 | 2 |
284 | 1 | 24 | LYS | HE2 | H | 2.954 | 0.002 | 2 |
285 | 1 | 24 | LYS | HE3 | H | 2.954 | 0.002 | 2 |
286 | 1 | 24 | LYS | C | C | 175.589 | 0.000 | 1 |
287 | 1 | 24 | LYS | CA | C | 55.984 | 0.000 | 1 |
288 | 1 | 24 | LYS | CB | C | 35.181 | 0.000 | 1 |
289 | 1 | 24 | LYS | CG | C | 25.738 | 0.000 | 1 |
290 | 1 | 24 | LYS | CD | C | 29.296 | 0.021 | 1 |
291 | 1 | 24 | LYS | CE | C | 42.898 | 0.000 | 1 |
292 | 1 | 24 | LYS | N | N | 119.900 | 0.004 | 1 |
293 | 1 | 25 | GLU | H | H | 8.686 | 0.002 | 1 |
294 | 1 | 25 | GLU | HA | H | 4.009 | 0.000 | 1 |
295 | 1 | 25 | GLU | HB2 | H | 1.747 | 0.000 | 2 |
296 | 1 | 25 | GLU | HB3 | H | 1.910 | 0.000 | 2 |
297 | 1 | 25 | GLU | HG2 | H | 2.553 | 0.004 | 2 |
298 | 1 | 25 | GLU | HG3 | H | 2.099 | 0.000 | 2 |
299 | 1 | 25 | GLU | CA | C | 54.511 | 0.000 | 1 |
300 | 1 | 25 | GLU | CB | C | 29.530 | 0.000 | 1 |
301 | 1 | 25 | GLU | CG | C | 36.094 | 0.005 | 1 |
302 | 1 | 25 | GLU | N | N | 123.239 | 0.012 | 1 |
303 | 1 | 26 | PRO | HA | H | 3.696 | 0.000 | 1 |
304 | 1 | 26 | PRO | HB2 | H | 1.248 | 0.002 | 2 |
305 | 1 | 26 | PRO | HB3 | H | 2.202 | 0.004 | 2 |
306 | 1 | 26 | PRO | C | C | 176.362 | 0.000 | 1 |
307 | 1 | 26 | PRO | CA | C | 63.854 | 0.000 | 1 |
308 | 1 | 26 | PRO | CB | C | 31.428 | 0.010 | 1 |
309 | 1 | 27 | GLY | H | H | 9.002 | 0.001 | 1 |
310 | 1 | 27 | GLY | HA2 | H | 3.532 | 0.005 | 2 |
311 | 1 | 27 | GLY | HA3 | H | 4.114 | 0.004 | 2 |
312 | 1 | 27 | GLY | C | C | 173.553 | 0.000 | 1 |
313 | 1 | 27 | GLY | CA | C | 44.698 | 0.022 | 1 |
314 | 1 | 27 | GLY | N | N | 111.521 | 0.007 | 1 |
315 | 1 | 28 | ASP | H | H | 8.303 | 0.001 | 1 |
316 | 1 | 28 | ASP | HA | H | 4.615 | 0.001 | 1 |
317 | 1 | 28 | ASP | HB2 | H | 2.911 | 0.000 | 2 |
318 | 1 | 28 | ASP | HB3 | H | 2.560 | 0.000 | 2 |
319 | 1 | 28 | ASP | C | C | 176.116 | 0.000 | 1 |
320 | 1 | 28 | ASP | CA | C | 53.576 | 0.000 | 1 |
321 | 1 | 28 | ASP | CB | C | 41.271 | 0.001 | 1 |
322 | 1 | 28 | ASP | N | N | 121.251 | 0.009 | 1 |
323 | 1 | 29 | SER | H | H | 8.420 | 0.001 | 1 |
324 | 1 | 29 | SER | HA | H | 4.763 | 0.005 | 1 |
325 | 1 | 29 | SER | HB2 | H | 3.805 | 0.000 | 2 |
326 | 1 | 29 | SER | HB3 | H | 3.805 | 0.000 | 2 |
327 | 1 | 29 | SER | C | C | 173.056 | 0.000 | 1 |
328 | 1 | 29 | SER | CA | C | 58.686 | 0.001 | 1 |
329 | 1 | 29 | SER | CB | C | 63.657 | 0.019 | 1 |
330 | 1 | 29 | SER | N | N | 116.163 | 0.008 | 1 |
331 | 1 | 30 | CYS | H | H | 7.787 | 0.002 | 1 |
332 | 1 | 30 | CYS | HA | H | 4.810 | 0.004 | 1 |
333 | 1 | 30 | CYS | HB2 | H | 2.949 | 0.001 | 2 |
334 | 1 | 30 | CYS | HB3 | H | 3.107 | 0.001 | 2 |
335 | 1 | 30 | CYS | C | C | 172.749 | 0.000 | 1 |
336 | 1 | 30 | CYS | CA | C | 53.492 | 0.000 | 1 |
337 | 1 | 30 | CYS | CB | C | 47.645 | 0.028 | 1 |
338 | 1 | 30 | CYS | N | N | 117.124 | 0.014 | 1 |
339 | 1 | 31 | SER | H | H | 9.482 | 0.003 | 1 |
340 | 1 | 31 | SER | HA | H | 4.462 | 0.001 | 1 |
341 | 1 | 31 | SER | HB2 | H | 3.790 | 0.000 | 2 |
342 | 1 | 31 | SER | HB3 | H | 3.723 | 0.000 | 2 |
343 | 1 | 31 | SER | C | C | 173.875 | 0.000 | 1 |
344 | 1 | 31 | SER | CA | C | 59.072 | 0.000 | 1 |
345 | 1 | 31 | SER | CB | C | 65.057 | 0.014 | 1 |
346 | 1 | 31 | SER | N | N | 113.471 | 0.010 | 1 |
347 | 1 | 32 | LYS | H | H | 7.802 | 0.007 | 1 |
348 | 1 | 32 | LYS | HA | H | 4.554 | 0.017 | 1 |
349 | 1 | 32 | LYS | HB2 | H | 1.649 | 0.000 | 2 |
350 | 1 | 32 | LYS | HB3 | H | 1.950 | 0.000 | 2 |
351 | 1 | 32 | LYS | HG2 | H | 1.251 | 0.000 | 2 |
352 | 1 | 32 | LYS | HG3 | H | 1.251 | 0.000 | 2 |
353 | 1 | 32 | LYS | C | C | 176.356 | 0.000 | 1 |
354 | 1 | 32 | LYS | CA | C | 54.726 | 0.000 | 1 |
355 | 1 | 32 | LYS | CB | C | 35.850 | 0.000 | 1 |
356 | 1 | 32 | LYS | CG | C | 24.551 | 0.001 | 1 |
357 | 1 | 32 | LYS | N | N | 120.062 | 0.006 | 1 |
358 | 1 | 33 | ARG | H | H | 8.889 | 0.002 | 1 |
359 | 1 | 33 | ARG | HA | H | 3.631 | 0.000 | 1 |
360 | 1 | 33 | ARG | HB2 | H | 1.923 | 0.000 | 2 |
361 | 1 | 33 | ARG | HB3 | H | 1.783 | 0.000 | 2 |
362 | 1 | 33 | ARG | HG2 | H | 1.491 | 0.000 | 2 |
363 | 1 | 33 | ARG | HG3 | H | 1.491 | 0.000 | 2 |
364 | 1 | 33 | ARG | HD2 | H | 3.189 | 0.000 | 2 |
365 | 1 | 33 | ARG | HD3 | H | 3.189 | 0.000 | 2 |
366 | 1 | 33 | ARG | HE | H | 7.121 | 0.000 | 1 |
367 | 1 | 33 | ARG | C | C | 178.014 | 0.000 | 1 |
368 | 1 | 33 | ARG | CA | C | 60.063 | 0.000 | 1 |
369 | 1 | 33 | ARG | CB | C | 29.897 | 0.012 | 1 |
370 | 1 | 33 | ARG | CG | C | 26.640 | 0.000 | 1 |
371 | 1 | 33 | ARG | CD | C | 43.641 | 0.000 | 1 |
372 | 1 | 33 | ARG | N | N | 121.120 | 0.022 | 1 |
373 | 1 | 33 | ARG | NE | N | 84.289 | 0.000 | 1 |
374 | 1 | 34 | ASP | H | H | 8.429 | 0.002 | 1 |
375 | 1 | 34 | ASP | HA | H | 4.284 | 0.003 | 1 |
376 | 1 | 34 | ASP | HB2 | H | 2.673 | 0.000 | 2 |
377 | 1 | 34 | ASP | HB3 | H | 2.553 | 0.000 | 2 |
378 | 1 | 34 | ASP | C | C | 176.537 | 0.000 | 1 |
379 | 1 | 34 | ASP | CA | C | 55.508 | 0.000 | 1 |
380 | 1 | 34 | ASP | CB | C | 39.422 | 0.029 | 1 |
381 | 1 | 34 | ASP | N | N | 115.759 | 0.001 | 1 |
382 | 1 | 35 | GLU | H | H | 7.311 | 0.003 | 1 |
383 | 1 | 35 | GLU | HA | H | 4.166 | 0.000 | 1 |
384 | 1 | 35 | GLU | HB2 | H | 2.205 | 0.000 | 2 |
385 | 1 | 35 | GLU | HB3 | H | 1.907 | 0.000 | 2 |
386 | 1 | 35 | GLU | HG2 | H | 2.376 | 0.000 | 2 |
387 | 1 | 35 | GLU | HG3 | H | 2.134 | 0.000 | 2 |
388 | 1 | 35 | GLU | C | C | 176.895 | 0.000 | 1 |
389 | 1 | 35 | GLU | CA | C | 57.040 | 0.000 | 1 |
390 | 1 | 35 | GLU | CB | C | 31.501 | 0.000 | 1 |
391 | 1 | 35 | GLU | CG | C | 36.299 | 0.056 | 1 |
392 | 1 | 35 | GLU | N | N | 116.107 | 0.003 | 1 |
393 | 1 | 36 | CYS | H | H | 7.378 | 0.004 | 1 |
394 | 1 | 36 | CYS | HA | H | 4.767 | 0.000 | 1 |
395 | 1 | 36 | CYS | HB2 | H | 3.390 | 0.001 | 2 |
396 | 1 | 36 | CYS | HB3 | H | 2.410 | 0.002 | 2 |
397 | 1 | 36 | CYS | C | C | 175.875 | 0.000 | 1 |
398 | 1 | 36 | CYS | CA | C | 54.848 | 0.000 | 1 |
399 | 1 | 36 | CYS | CB | C | 37.697 | 0.029 | 1 |
400 | 1 | 36 | CYS | N | N | 118.020 | 0.001 | 1 |
401 | 1 | 37 | CYS | H | H | 10.026 | 0.000 | 1 |
402 | 1 | 37 | CYS | HA | H | 4.446 | 0.000 | 1 |
403 | 1 | 37 | CYS | HB2 | H | 2.048 | 0.000 | 2 |
404 | 1 | 37 | CYS | HB3 | H | 3.236 | 0.000 | 2 |
405 | 1 | 37 | CYS | C | C | 173.265 | 0.000 | 1 |
406 | 1 | 37 | CYS | CA | C | 54.933 | 0.000 | 1 |
407 | 1 | 37 | CYS | CB | C | 39.216 | 0.008 | 1 |
408 | 1 | 37 | CYS | N | N | 124.805 | 0.040 | 1 |
409 | 1 | 38 | LYS | H | H | 8.673 | 0.002 | 1 |
410 | 1 | 38 | LYS | HA | H | 4.276 | 0.000 | 1 |
411 | 1 | 38 | LYS | HB2 | H | 1.590 | 0.000 | 2 |
412 | 1 | 38 | LYS | HB3 | H | 1.766 | 0.000 | 2 |
413 | 1 | 38 | LYS | HG2 | H | 1.408 | 0.000 | 2 |
414 | 1 | 38 | LYS | HG3 | H | 1.321 | 0.000 | 2 |
415 | 1 | 38 | LYS | C | C | 176.758 | 0.000 | 1 |
416 | 1 | 38 | LYS | CA | C | 54.826 | 0.000 | 1 |
417 | 1 | 38 | LYS | CB | C | 34.549 | 0.000 | 1 |
418 | 1 | 38 | LYS | CG | C | 25.716 | 0.000 | 1 |
419 | 1 | 38 | LYS | N | N | 120.797 | 0.002 | 1 |
420 | 1 | 39 | ALA | H | H | 8.515 | 0.002 | 1 |
421 | 1 | 39 | ALA | HA | H | 4.033 | 0.000 | 1 |
422 | 1 | 39 | ALA | HB1 | H | 1.202 | 0.000 | 1 |
423 | 1 | 39 | ALA | HB2 | H | 1.202 | 0.000 | 1 |
424 | 1 | 39 | ALA | HB3 | H | 1.202 | 0.000 | 1 |
425 | 1 | 39 | ALA | C | C | 176.607 | 0.000 | 1 |
426 | 1 | 39 | ALA | CA | C | 51.836 | 0.000 | 1 |
427 | 1 | 39 | ALA | CB | C | 20.385 | 0.001 | 1 |
428 | 1 | 39 | ALA | N | N | 121.879 | 0.007 | 1 |
429 | 1 | 40 | ASP | H | H | 8.024 | 0.004 | 1 |
430 | 1 | 40 | ASP | HA | H | 4.244 | 0.000 | 1 |
431 | 1 | 40 | ASP | HB2 | H | 2.550 | 0.000 | 2 |
432 | 1 | 40 | ASP | HB3 | H | 2.622 | 0.000 | 2 |
433 | 1 | 40 | ASP | C | C | 176.595 | 0.000 | 1 |
434 | 1 | 40 | ASP | CA | C | 56.599 | 0.000 | 1 |
435 | 1 | 40 | ASP | CB | C | 38.513 | 0.000 | 1 |
436 | 1 | 40 | ASP | N | N | 120.135 | 0.002 | 1 |
437 | 1 | 41 | ASP | H | H | 8.511 | 0.003 | 1 |
438 | 1 | 41 | ASP | HA | H | 4.826 | 0.000 | 1 |
439 | 1 | 41 | ASP | HB2 | H | 3.090 | 0.000 | 2 |
440 | 1 | 41 | ASP | HB3 | H | 2.616 | 0.000 | 2 |
441 | 1 | 41 | ASP | C | C | 175.836 | 0.000 | 1 |
442 | 1 | 41 | ASP | CA | C | 51.757 | 0.000 | 1 |
443 | 1 | 41 | ASP | CB | C | 39.390 | 0.018 | 1 |
444 | 1 | 41 | ASP | N | N | 117.567 | 0.015 | 1 |
445 | 1 | 42 | GLN | H | H | 8.270 | 0.004 | 1 |
446 | 1 | 42 | GLN | HA | H | 4.594 | 0.000 | 1 |
447 | 1 | 42 | GLN | HB2 | H | 2.348 | 0.001 | 2 |
448 | 1 | 42 | GLN | HB3 | H | 1.802 | 0.000 | 2 |
449 | 1 | 42 | GLN | HG2 | H | 2.508 | 0.000 | 2 |
450 | 1 | 42 | GLN | HG3 | H | 2.384 | 0.000 | 2 |
451 | 1 | 42 | GLN | C | C | 176.498 | 0.000 | 1 |
452 | 1 | 42 | GLN | CA | C | 56.797 | 0.000 | 1 |
453 | 1 | 42 | GLN | CB | C | 29.006 | 0.032 | 1 |
454 | 1 | 42 | GLN | CG | C | 35.096 | 0.030 | 1 |
455 | 1 | 42 | GLN | N | N | 121.347 | 0.005 | 1 |
456 | 1 | 43 | LYS | H | H | 8.041 | 0.002 | 1 |
457 | 1 | 43 | LYS | HA | H | 4.203 | 0.000 | 1 |
458 | 1 | 43 | LYS | HB2 | H | 1.822 | 0.000 | 2 |
459 | 1 | 43 | LYS | HB3 | H | 1.822 | 0.000 | 2 |
460 | 1 | 43 | LYS | HG2 | H | 1.387 | 0.000 | 2 |
461 | 1 | 43 | LYS | HG3 | H | 1.283 | 0.000 | 2 |
462 | 1 | 43 | LYS | HD2 | H | 1.574 | 0.000 | 2 |
463 | 1 | 43 | LYS | HD3 | H | 1.551 | 0.000 | 2 |
464 | 1 | 43 | LYS | HE2 | H | 2.886 | 0.000 | 2 |
465 | 1 | 43 | LYS | HE3 | H | 2.886 | 0.000 | 2 |
466 | 1 | 43 | LYS | C | C | 178.181 | 0.000 | 1 |
467 | 1 | 43 | LYS | CA | C | 57.685 | 0.000 | 1 |
468 | 1 | 43 | LYS | CB | C | 32.371 | 0.000 | 1 |
469 | 1 | 43 | LYS | CG | C | 25.011 | 0.000 | 1 |
470 | 1 | 43 | LYS | CD | C | 29.058 | 0.019 | 1 |
471 | 1 | 43 | LYS | CE | C | 42.051 | 0.000 | 1 |
472 | 1 | 43 | LYS | N | N | 118.711 | 0.002 | 1 |
473 | 1 | 44 | THR | H | H | 7.249 | 0.003 | 1 |
474 | 1 | 44 | THR | HA | H | 3.686 | 0.005 | 1 |
475 | 1 | 44 | THR | HB | H | 3.203 | 0.002 | 1 |
476 | 1 | 44 | THR | HG21 | H | 0.361 | 0.000 | 1 |
477 | 1 | 44 | THR | HG22 | H | 0.361 | 0.000 | 1 |
478 | 1 | 44 | THR | HG23 | H | 0.361 | 0.000 | 1 |
479 | 1 | 44 | THR | C | C | 174.258 | 0.000 | 1 |
480 | 1 | 44 | THR | CA | C | 64.212 | 0.000 | 1 |
481 | 1 | 44 | THR | CB | C | 69.033 | 0.000 | 1 |
482 | 1 | 44 | THR | CG2 | C | 21.960 | 0.000 | 1 |
483 | 1 | 44 | THR | N | N | 114.815 | 0.003 | 1 |
484 | 1 | 45 | TYR | H | H | 7.558 | 0.003 | 1 |
485 | 1 | 45 | TYR | HA | H | 5.198 | 0.000 | 1 |
486 | 1 | 45 | TYR | HB2 | H | 2.700 | 0.000 | 2 |
487 | 1 | 45 | TYR | HB3 | H | 2.546 | 0.000 | 2 |
488 | 1 | 45 | TYR | HD1 | H | 7.063 | 0.000 | 1 |
489 | 1 | 45 | TYR | HD2 | H | 7.063 | 0.000 | 1 |
490 | 1 | 45 | TYR | HE1 | H | 6.761 | 0.000 | 1 |
491 | 1 | 45 | TYR | HE2 | H | 6.761 | 0.000 | 1 |
492 | 1 | 45 | TYR | C | C | 174.519 | 0.000 | 1 |
493 | 1 | 45 | TYR | CA | C | 57.274 | 0.000 | 1 |
494 | 1 | 45 | TYR | CB | C | 41.442 | 0.000 | 1 |
495 | 1 | 45 | TYR | CD2 | C | 133.970 | 0.003 | 1 |
496 | 1 | 45 | TYR | CE1 | C | 118.424 | 0.049 | 1 |
497 | 1 | 45 | TYR | N | N | 118.832 | 0.008 | 1 |
498 | 1 | 46 | SER | H | H | 9.066 | 0.001 | 1 |
499 | 1 | 46 | SER | HA | H | 4.739 | 0.001 | 1 |
500 | 1 | 46 | SER | HB2 | H | 3.729 | 0.000 | 2 |
501 | 1 | 46 | SER | HB3 | H | 3.729 | 0.000 | 2 |
502 | 1 | 46 | SER | C | C | 172.770 | 0.000 | 1 |
503 | 1 | 46 | SER | CA | C | 56.271 | 0.000 | 1 |
504 | 1 | 46 | SER | CB | C | 65.566 | 0.001 | 1 |
505 | 1 | 46 | SER | N | N | 116.036 | 0.006 | 1 |
506 | 1 | 47 | SER | H | H | 8.064 | 0.000 | 1 |
507 | 1 | 47 | SER | HA | H | 5.226 | 0.001 | 1 |
508 | 1 | 47 | SER | HB2 | H | 3.597 | 0.000 | 2 |
509 | 1 | 47 | SER | HB3 | H | 3.597 | 0.000 | 2 |
510 | 1 | 47 | SER | C | C | 173.773 | 0.000 | 1 |
511 | 1 | 47 | SER | CA | C | 56.102 | 0.000 | 1 |
512 | 1 | 47 | SER | CB | C | 66.266 | 0.000 | 1 |
513 | 1 | 47 | SER | N | N | 115.742 | 0.000 | 1 |
514 | 1 | 48 | GLY | H | H | 7.309 | 0.003 | 1 |
515 | 1 | 48 | GLY | HA2 | H | 3.728 | 0.000 | 2 |
516 | 1 | 48 | GLY | HA3 | H | 3.553 | 0.000 | 2 |
517 | 1 | 48 | GLY | C | C | 168.296 | 0.000 | 1 |
518 | 1 | 48 | GLY | CA | C | 45.441 | 0.000 | 1 |
519 | 1 | 48 | GLY | N | N | 107.064 | 0.003 | 1 |
520 | 1 | 49 | CYS | H | H | 8.307 | 0.003 | 1 |
521 | 1 | 49 | CYS | HA | H | 4.970 | 0.000 | 1 |
522 | 1 | 49 | CYS | HB2 | H | 2.495 | 0.000 | 2 |
523 | 1 | 49 | CYS | HB3 | H | 2.563 | 0.000 | 2 |
524 | 1 | 49 | CYS | C | C | 173.424 | 0.000 | 1 |
525 | 1 | 49 | CYS | CA | C | 54.764 | 0.000 | 1 |
526 | 1 | 49 | CYS | CB | C | 42.451 | 0.012 | 1 |
527 | 1 | 49 | CYS | N | N | 118.652 | 0.021 | 1 |
528 | 1 | 50 | ALA | H | H | 8.696 | 0.002 | 1 |
529 | 1 | 50 | ALA | HA | H | 4.754 | 0.006 | 1 |
530 | 1 | 50 | ALA | HB1 | H | 1.392 | 0.002 | 1 |
531 | 1 | 50 | ALA | HB2 | H | 1.392 | 0.002 | 1 |
532 | 1 | 50 | ALA | HB3 | H | 1.392 | 0.002 | 1 |
533 | 1 | 50 | ALA | C | C | 176.727 | 0.000 | 1 |
534 | 1 | 50 | ALA | CA | C | 51.474 | 0.000 | 1 |
535 | 1 | 50 | ALA | CB | C | 23.099 | 0.000 | 1 |
536 | 1 | 50 | ALA | N | N | 128.688 | 0.003 | 1 |
537 | 1 | 51 | GLN | H | H | 8.726 | 0.003 | 1 |
538 | 1 | 51 | GLN | HA | H | 4.602 | 0.001 | 1 |
539 | 1 | 51 | GLN | HB2 | H | 1.759 | 0.003 | 2 |
540 | 1 | 51 | GLN | HB3 | H | 1.756 | 0.000 | 2 |
541 | 1 | 51 | GLN | HG2 | H | 2.123 | 0.000 | 2 |
542 | 1 | 51 | GLN | HG3 | H | 2.042 | 0.000 | 2 |
543 | 1 | 51 | GLN | C | C | 175.406 | 0.000 | 1 |
544 | 1 | 51 | GLN | CA | C | 56.550 | 0.000 | 1 |
545 | 1 | 51 | GLN | CB | C | 29.898 | 0.000 | 1 |
546 | 1 | 51 | GLN | CG | C | 34.403 | 0.028 | 1 |
547 | 1 | 51 | GLN | N | N | 120.857 | 0.018 | 1 |
548 | 1 | 52 | THR | H | H | 9.095 | 0.001 | 1 |
549 | 1 | 52 | THR | HA | H | 4.700 | 0.001 | 1 |
550 | 1 | 52 | THR | HB | H | 3.955 | 0.000 | 1 |
551 | 1 | 52 | THR | HG21 | H | 1.012 | 0.000 | 1 |
552 | 1 | 52 | THR | HG22 | H | 1.012 | 0.000 | 1 |
553 | 1 | 52 | THR | HG23 | H | 1.012 | 0.000 | 1 |
554 | 1 | 52 | THR | C | C | 172.183 | 0.000 | 1 |
555 | 1 | 52 | THR | CA | C | 60.903 | 0.001 | 1 |
556 | 1 | 52 | THR | CB | C | 70.905 | 0.000 | 1 |
557 | 1 | 52 | THR | CG2 | C | 19.761 | 0.000 | 1 |
558 | 1 | 52 | THR | N | N | 120.172 | 0.000 | 1 |
559 | 1 | 53 | TRP | H | H | 8.750 | 0.002 | 1 |
560 | 1 | 53 | TRP | HA | H | 3.957 | 0.001 | 1 |
561 | 1 | 53 | TRP | HB2 | H | 2.937 | 0.000 | 2 |
562 | 1 | 53 | TRP | HB3 | H | 2.776 | 0.000 | 2 |
563 | 1 | 53 | TRP | HD1 | H | 6.664 | 0.000 | 1 |
564 | 1 | 53 | TRP | HE1 | H | 9.954 | 0.000 | 1 |
565 | 1 | 53 | TRP | HE3 | H | 5.712 | 0.001 | 1 |
566 | 1 | 53 | TRP | HZ2 | H | 7.183 | 0.000 | 1 |
567 | 1 | 53 | TRP | HZ3 | H | 6.539 | 0.000 | 1 |
568 | 1 | 53 | TRP | HH2 | H | 6.866 | 0.001 | 1 |
569 | 1 | 53 | TRP | C | C | 175.553 | 0.000 | 1 |
570 | 1 | 53 | TRP | CA | C | 58.327 | 0.058 | 1 |
571 | 1 | 53 | TRP | CB | C | 29.601 | 0.000 | 1 |
572 | 1 | 53 | TRP | CD1 | C | 126.764 | 0.006 | 1 |
573 | 1 | 53 | TRP | CE3 | C | 120.072 | 0.024 | 1 |
574 | 1 | 53 | TRP | CZ2 | C | 113.791 | 0.011 | 1 |
575 | 1 | 53 | TRP | CZ3 | C | 121.586 | 0.060 | 1 |
576 | 1 | 53 | TRP | CH2 | C | 124.634 | 0.019 | 1 |
577 | 1 | 53 | TRP | N | N | 126.769 | 0.001 | 1 |
578 | 1 | 53 | TRP | NE1 | N | 128.365 | 0.000 | 1 |
579 | 1 | 54 | SER | H | H | 7.680 | 0.003 | 1 |
580 | 1 | 54 | SER | HA | H | 4.470 | 0.000 | 1 |
581 | 1 | 54 | SER | HB2 | H | 3.484 | 0.000 | 2 |
582 | 1 | 54 | SER | HB3 | H | 3.484 | 0.000 | 2 |
583 | 1 | 54 | SER | C | C | 174.318 | 0.000 | 1 |
584 | 1 | 54 | SER | CA | C | 55.075 | 0.000 | 1 |
585 | 1 | 54 | SER | CB | C | 63.719 | 0.001 | 1 |
586 | 1 | 54 | SER | N | N | 122.459 | 0.007 | 1 |
587 | 1 | 55 | ALA | H | H | 8.679 | 0.003 | 1 |
588 | 1 | 55 | ALA | HA | H | 3.831 | 0.000 | 1 |
589 | 1 | 55 | ALA | HB1 | H | 1.407 | 0.000 | 1 |
590 | 1 | 55 | ALA | HB2 | H | 1.407 | 0.000 | 1 |
591 | 1 | 55 | ALA | HB3 | H | 1.407 | 0.000 | 1 |
592 | 1 | 55 | ALA | C | C | 179.897 | 0.000 | 1 |
593 | 1 | 55 | ALA | CA | C | 54.625 | 0.000 | 1 |
594 | 1 | 55 | ALA | CB | C | 18.480 | 0.001 | 1 |
595 | 1 | 55 | ALA | N | N | 131.817 | 0.007 | 1 |
596 | 1 | 56 | MET | H | H | 8.053 | 0.004 | 1 |
597 | 1 | 56 | MET | HA | H | 4.066 | 0.000 | 1 |
598 | 1 | 56 | MET | HB2 | H | 1.875 | 0.000 | 2 |
599 | 1 | 56 | MET | HB3 | H | 1.818 | 0.000 | 2 |
600 | 1 | 56 | MET | HG2 | H | 2.475 | 0.000 | 2 |
601 | 1 | 56 | MET | HG3 | H | 2.394 | 0.000 | 2 |
602 | 1 | 56 | MET | C | C | 177.440 | 0.000 | 1 |
603 | 1 | 56 | MET | CA | C | 57.766 | 0.000 | 1 |
604 | 1 | 56 | MET | CB | C | 32.081 | 0.000 | 1 |
605 | 1 | 56 | MET | CG | C | 32.105 | 0.003 | 1 |
606 | 1 | 56 | MET | N | N | 115.996 | 0.007 | 1 |
607 | 1 | 57 | GLU | H | H | 7.345 | 0.005 | 1 |
608 | 1 | 57 | GLU | HA | H | 4.130 | 0.004 | 1 |
609 | 1 | 57 | GLU | HB2 | H | 1.424 | 0.000 | 2 |
610 | 1 | 57 | GLU | HB3 | H | 1.890 | 0.000 | 2 |
611 | 1 | 57 | GLU | HG2 | H | 2.123 | 0.000 | 2 |
612 | 1 | 57 | GLU | HG3 | H | 2.123 | 0.000 | 2 |
613 | 1 | 57 | GLU | C | C | 176.637 | 0.000 | 1 |
614 | 1 | 57 | GLU | CA | C | 55.764 | 0.000 | 1 |
615 | 1 | 57 | GLU | CB | C | 28.879 | 0.003 | 1 |
616 | 1 | 57 | GLU | CG | C | 33.881 | 0.000 | 1 |
617 | 1 | 57 | GLU | N | N | 115.242 | 0.006 | 1 |
618 | 1 | 58 | GLY | H | H | 7.723 | 0.003 | 1 |
619 | 1 | 58 | GLY | HA2 | H | 3.383 | 0.000 | 2 |
620 | 1 | 58 | GLY | HA3 | H | 3.735 | 0.000 | 2 |
621 | 1 | 58 | GLY | C | C | 173.844 | 0.000 | 1 |
622 | 1 | 58 | GLY | CA | C | 46.145 | 0.029 | 1 |
623 | 1 | 58 | GLY | N | N | 109.063 | 0.005 | 1 |
624 | 1 | 59 | GLY | H | H | 6.495 | 0.002 | 1 |
625 | 1 | 59 | GLY | HA2 | H | 3.479 | 0.000 | 2 |
626 | 1 | 59 | GLY | HA3 | H | 3.030 | 0.000 | 2 |
627 | 1 | 59 | GLY | C | C | 171.140 | 0.000 | 1 |
628 | 1 | 59 | GLY | CA | C | 44.528 | 0.001 | 1 |
629 | 1 | 59 | GLY | N | N | 105.253 | 0.005 | 1 |
630 | 1 | 60 | PHE | H | H | 8.373 | 0.003 | 1 |
631 | 1 | 60 | PHE | HA | H | 4.787 | 0.001 | 1 |
632 | 1 | 60 | PHE | HB2 | H | 2.776 | 0.000 | 2 |
633 | 1 | 60 | PHE | HB3 | H | 2.726 | 0.000 | 2 |
634 | 1 | 60 | PHE | HD1 | H | 7.136 | 0.001 | 1 |
635 | 1 | 60 | PHE | HD2 | H | 7.136 | 0.001 | 1 |
636 | 1 | 60 | PHE | HE1 | H | 7.389 | 0.001 | 1 |
637 | 1 | 60 | PHE | HE2 | H | 7.389 | 0.001 | 1 |
638 | 1 | 60 | PHE | HZ | H | 7.217 | 0.000 | 1 |
639 | 1 | 60 | PHE | C | C | 176.489 | 0.000 | 1 |
640 | 1 | 60 | PHE | CA | C | 59.087 | 0.000 | 1 |
641 | 1 | 60 | PHE | CB | C | 40.496 | 0.005 | 1 |
642 | 1 | 60 | PHE | CD1 | C | 131.861 | 0.000 | 1 |
643 | 1 | 60 | PHE | CE1 | C | 131.699 | 0.007 | 1 |
644 | 1 | 60 | PHE | CZ | C | 130.299 | 0.006 | 1 |
645 | 1 | 60 | PHE | N | N | 118.280 | 0.011 | 1 |
646 | 1 | 61 | VAL | H | H | 8.965 | 0.002 | 1 |
647 | 1 | 61 | VAL | HA | H | 4.422 | 0.002 | 1 |
648 | 1 | 61 | VAL | HB | H | 1.988 | 0.006 | 1 |
649 | 1 | 61 | VAL | HG11 | H | 0.647 | 0.000 | 2 |
650 | 1 | 61 | VAL | HG12 | H | 0.647 | 0.000 | 2 |
651 | 1 | 61 | VAL | HG13 | H | 0.647 | 0.000 | 2 |
652 | 1 | 61 | VAL | HG21 | H | 0.721 | 0.000 | 2 |
653 | 1 | 61 | VAL | HG22 | H | 0.721 | 0.000 | 2 |
654 | 1 | 61 | VAL | HG23 | H | 0.721 | 0.000 | 2 |
655 | 1 | 61 | VAL | C | C | 174.857 | 0.000 | 1 |
656 | 1 | 61 | VAL | CA | C | 59.958 | 0.000 | 1 |
657 | 1 | 61 | VAL | CB | C | 35.315 | 0.000 | 1 |
658 | 1 | 61 | VAL | CG1 | C | 19.482 | 0.000 | 1 |
659 | 1 | 61 | VAL | CG2 | C | 21.450 | 0.000 | 1 |
660 | 1 | 61 | VAL | N | N | 119.328 | 0.005 | 1 |
661 | 1 | 62 | ARG | H | H | 8.419 | 0.003 | 1 |
662 | 1 | 62 | ARG | HA | H | 4.687 | 0.004 | 1 |
663 | 1 | 62 | ARG | HB2 | H | 1.800 | 0.000 | 2 |
664 | 1 | 62 | ARG | HB3 | H | 1.800 | 0.000 | 2 |
665 | 1 | 62 | ARG | HG2 | H | 1.484 | 0.000 | 2 |
666 | 1 | 62 | ARG | HG3 | H | 1.257 | 0.000 | 2 |
667 | 1 | 62 | ARG | HD2 | H | 3.067 | 0.000 | 2 |
668 | 1 | 62 | ARG | HD3 | H | 3.031 | 0.000 | 2 |
669 | 1 | 62 | ARG | C | C | 176.543 | 0.000 | 1 |
670 | 1 | 62 | ARG | CA | C | 56.409 | 0.000 | 1 |
671 | 1 | 62 | ARG | CB | C | 31.274 | 0.000 | 1 |
672 | 1 | 62 | ARG | CG | C | 28.620 | 0.020 | 1 |
673 | 1 | 62 | ARG | CD | C | 43.712 | 0.000 | 1 |
674 | 1 | 62 | ARG | N | N | 124.189 | 0.007 | 1 |
675 | 1 | 63 | GLU | H | H | 8.416 | 0.005 | 1 |
676 | 1 | 63 | GLU | HA | H | 5.215 | 0.000 | 1 |
677 | 1 | 63 | GLU | HB2 | H | 1.719 | 0.000 | 2 |
678 | 1 | 63 | GLU | HB3 | H | 1.578 | 0.000 | 2 |
679 | 1 | 63 | GLU | HG2 | H | 2.050 | 0.000 | 2 |
680 | 1 | 63 | GLU | HG3 | H | 1.958 | 0.000 | 2 |
681 | 1 | 63 | GLU | C | C | 176.955 | 0.000 | 1 |
682 | 1 | 63 | GLU | CA | C | 54.113 | 0.000 | 1 |
683 | 1 | 63 | GLU | CB | C | 34.671 | 0.003 | 1 |
684 | 1 | 63 | GLU | CG | C | 33.672 | 0.006 | 1 |
685 | 1 | 63 | GLU | N | N | 121.715 | 0.001 | 1 |
686 | 1 | 64 | CYS | H | H | 8.360 | 0.002 | 1 |
687 | 1 | 64 | CYS | HA | H | 5.378 | 0.004 | 1 |
688 | 1 | 64 | CYS | HB2 | H | 3.100 | 0.001 | 2 |
689 | 1 | 64 | CYS | HB3 | H | 2.797 | 0.000 | 2 |
690 | 1 | 64 | CYS | C | C | 175.003 | 0.000 | 1 |
691 | 1 | 64 | CYS | CA | C | 54.835 | 0.000 | 1 |
692 | 1 | 64 | CYS | CB | C | 38.425 | 0.000 | 1 |
693 | 1 | 64 | CYS | N | N | 120.930 | 0.016 | 1 |
694 | 1 | 65 | TYR | H | H | 8.600 | 0.002 | 1 |
695 | 1 | 65 | TYR | HA | H | 5.333 | 0.000 | 1 |
696 | 1 | 65 | TYR | HB2 | H | 2.805 | 0.000 | 2 |
697 | 1 | 65 | TYR | HB3 | H | 2.896 | 0.000 | 2 |
698 | 1 | 65 | TYR | HD1 | H | 6.746 | 0.000 | 1 |
699 | 1 | 65 | TYR | HD2 | H | 6.746 | 0.000 | 1 |
700 | 1 | 65 | TYR | HE1 | H | 6.497 | 0.000 | 1 |
701 | 1 | 65 | TYR | HE2 | H | 6.497 | 0.000 | 1 |
702 | 1 | 65 | TYR | C | C | 173.856 | 0.000 | 1 |
703 | 1 | 65 | TYR | CA | C | 56.010 | 0.000 | 1 |
704 | 1 | 65 | TYR | CB | C | 42.509 | 0.012 | 1 |
705 | 1 | 65 | TYR | CD2 | C | 133.954 | 0.011 | 1 |
706 | 1 | 65 | TYR | CE2 | C | 117.479 | 0.000 | 1 |
707 | 1 | 65 | TYR | N | N | 117.985 | 0.003 | 1 |
708 | 1 | 66 | ILE | H | H | 8.532 | 0.002 | 1 |
709 | 1 | 66 | ILE | HA | H | 4.694 | 0.000 | 1 |
710 | 1 | 66 | ILE | HB | H | 1.413 | 0.000 | 1 |
711 | 1 | 66 | ILE | HG12 | H | 1.339 | 0.000 | 2 |
712 | 1 | 66 | ILE | HG13 | H | 0.740 | 0.000 | 2 |
713 | 1 | 66 | ILE | HG21 | H | 0.628 | 0.000 | 1 |
714 | 1 | 66 | ILE | HG22 | H | 0.628 | 0.000 | 1 |
715 | 1 | 66 | ILE | HG23 | H | 0.628 | 0.000 | 1 |
716 | 1 | 66 | ILE | HD11 | H | 0.056 | 0.000 | 1 |
717 | 1 | 66 | ILE | HD12 | H | 0.056 | 0.000 | 1 |
718 | 1 | 66 | ILE | HD13 | H | 0.056 | 0.000 | 1 |
719 | 1 | 66 | ILE | C | C | 174.776 | 0.000 | 1 |
720 | 1 | 66 | ILE | CA | C | 61.651 | 0.000 | 1 |
721 | 1 | 66 | ILE | CB | C | 41.103 | 0.000 | 1 |
722 | 1 | 66 | ILE | CG1 | C | 28.006 | 0.000 | 1 |
723 | 1 | 66 | ILE | CG2 | C | 19.719 | 0.000 | 1 |
724 | 1 | 66 | ILE | CD1 | C | 12.811 | 0.001 | 1 |
725 | 1 | 66 | ILE | N | N | 120.653 | 0.001 | 1 |
726 | 1 | 67 | CYS | H | H | 9.205 | 0.002 | 1 |
727 | 1 | 67 | CYS | HA | H | 4.966 | 0.000 | 1 |
728 | 1 | 67 | CYS | HB2 | H | 3.036 | 0.000 | 2 |
729 | 1 | 67 | CYS | HB3 | H | 3.036 | 0.000 | 2 |
730 | 1 | 67 | CYS | C | C | 172.828 | 0.000 | 1 |
731 | 1 | 67 | CYS | CA | C | 53.886 | 0.000 | 1 |
732 | 1 | 67 | CYS | CB | C | 45.189 | 0.035 | 1 |
733 | 1 | 67 | CYS | N | N | 122.570 | 0.001 | 1 |
734 | 1 | 68 | ALA | H | H | 9.099 | 0.002 | 1 |
735 | 1 | 68 | ALA | HA | H | 4.576 | 0.000 | 1 |
736 | 1 | 68 | ALA | HB1 | H | 1.373 | 0.000 | 1 |
737 | 1 | 68 | ALA | HB2 | H | 1.373 | 0.000 | 1 |
738 | 1 | 68 | ALA | HB3 | H | 1.373 | 0.000 | 1 |
739 | 1 | 68 | ALA | C | C | 177.664 | 0.000 | 1 |
740 | 1 | 68 | ALA | CA | C | 52.344 | 0.001 | 1 |
741 | 1 | 68 | ALA | CB | C | 18.305 | 0.000 | 1 |
742 | 1 | 68 | ALA | N | N | 126.893 | 0.000 | 1 |
743 | 1 | 69 | VAL | H | H | 8.122 | 0.003 | 1 |
744 | 1 | 69 | VAL | HA | H | 3.738 | 0.000 | 1 |
745 | 1 | 69 | VAL | HB | H | 1.885 | 0.000 | 1 |
746 | 1 | 69 | VAL | HG21 | H | 0.796 | 0.000 | 2 |
747 | 1 | 69 | VAL | HG22 | H | 0.796 | 0.000 | 2 |
748 | 1 | 69 | VAL | HG23 | H | 0.796 | 0.000 | 2 |
749 | 1 | 69 | VAL | C | C | 177.182 | 0.000 | 1 |
750 | 1 | 69 | VAL | CA | C | 64.804 | 0.000 | 1 |
751 | 1 | 69 | VAL | CB | C | 31.909 | 0.000 | 1 |
752 | 1 | 69 | VAL | CG2 | C | 21.244 | 0.000 | 1 |
753 | 1 | 69 | VAL | N | N | 123.230 | 0.010 | 1 |
754 | 1 | 70 | GLU | H | H | 8.389 | 0.002 | 1 |
755 | 1 | 70 | GLU | HA | H | 4.178 | 0.001 | 1 |
756 | 1 | 70 | GLU | HB2 | H | 2.071 | 0.008 | 2 |
757 | 1 | 70 | GLU | HB3 | H | 1.889 | 0.008 | 2 |
758 | 1 | 70 | GLU | HG2 | H | 2.314 | 0.000 | 2 |
759 | 1 | 70 | GLU | HG3 | H | 2.314 | 0.000 | 2 |
760 | 1 | 70 | GLU | C | C | 176.032 | 0.000 | 1 |
761 | 1 | 70 | GLU | CA | C | 56.534 | 0.000 | 1 |
762 | 1 | 70 | GLU | CB | C | 27.992 | 0.000 | 1 |
763 | 1 | 70 | GLU | CG | C | 33.875 | 0.000 | 1 |
764 | 1 | 70 | GLU | N | N | 117.730 | 0.005 | 1 |
765 | 1 | 71 | SER | H | H | 7.819 | 0.003 | 1 |
766 | 1 | 71 | SER | HA | H | 4.382 | 0.000 | 1 |
767 | 1 | 71 | SER | HB2 | H | 3.934 | 0.002 | 2 |
768 | 1 | 71 | SER | HB3 | H | 3.936 | 0.000 | 2 |
769 | 1 | 71 | SER | C | C | 175.068 | 0.000 | 1 |
770 | 1 | 71 | SER | CA | C | 58.279 | 0.000 | 1 |
771 | 1 | 71 | SER | CB | C | 64.481 | 0.001 | 1 |
772 | 1 | 71 | SER | N | N | 114.469 | 0.004 | 1 |
773 | 1 | 72 | SER | H | H | 8.407 | 0.003 | 1 |
774 | 1 | 72 | SER | HA | H | 4.317 | 0.001 | 1 |
775 | 1 | 72 | SER | HB2 | H | 3.917 | 0.001 | 2 |
776 | 1 | 72 | SER | HB3 | H | 3.863 | 0.001 | 2 |
777 | 1 | 72 | SER | C | C | 174.598 | 0.000 | 1 |
778 | 1 | 72 | SER | CA | C | 59.500 | 0.000 | 1 |
779 | 1 | 72 | SER | CB | C | 63.349 | 0.000 | 1 |
780 | 1 | 72 | SER | N | N | 117.731 | 0.008 | 1 |
781 | 1 | 73 | MET | H | H | 8.027 | 0.002 | 1 |
782 | 1 | 73 | MET | HA | H | 4.442 | 0.001 | 1 |
783 | 1 | 73 | MET | HB2 | H | 2.068 | 0.000 | 2 |
784 | 1 | 73 | MET | HB3 | H | 1.823 | 0.000 | 2 |
785 | 1 | 73 | MET | HG2 | H | 2.478 | 0.000 | 2 |
786 | 1 | 73 | MET | HG3 | H | 2.391 | 0.000 | 2 |
787 | 1 | 73 | MET | C | C | 174.889 | 0.000 | 1 |
788 | 1 | 73 | MET | CA | C | 55.280 | 0.000 | 1 |
789 | 1 | 73 | MET | CB | C | 32.807 | 0.003 | 1 |
790 | 1 | 73 | MET | CG | C | 32.279 | 0.001 | 1 |
791 | 1 | 73 | MET | N | N | 119.375 | 0.017 | 1 |
792 | 1 | 74 | CYS | H | H | 7.725 | 0.003 | 1 |
793 | 1 | 74 | CYS | HA | H | 4.394 | 0.000 | 1 |
794 | 1 | 74 | CYS | HB2 | H | 2.910 | 0.000 | 2 |
795 | 1 | 74 | CYS | HB3 | H | 2.770 | 0.000 | 2 |
796 | 1 | 74 | CYS | CA | C | 56.283 | 0.000 | 1 |
797 | 1 | 74 | CYS | CB | C | 41.324 | 0.028 | 1 |
798 | 1 | 74 | CYS | N | N | 123.155 | 0.010 | 1 |