Structure of a new ShKT peptide from the sea anemone Telmatactis stephensoni: ShKT-Ts1.
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | disulfide | sing | 1:CYS3:SG | 1:CYS37:SG |
2 | disulfide | sing | 1:CYS12:SG | 1:CYS30:SG |
3 | disulfide | sing | 1:CYS19:SG | 1:CYS34:SG |
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 1 | GLY | HA2 | H | 3.760 | 0.000 | 1 |
2 | 1 | 1 | GLY | HA3 | H | 3.814 | 0.030 | 1 |
3 | 1 | 1 | GLY | CA | C | 43.329 | 0.000 | 1 |
4 | 1 | 2 | ALA | H | H | 8.596 | 0.021 | 1 |
5 | 1 | 2 | ALA | HA | H | 4.306 | 0.008 | 1 |
6 | 1 | 2 | ALA | HB1 | H | 1.344 | 0.017 | 1 |
7 | 1 | 2 | ALA | HB2 | H | 1.344 | 0.017 | 1 |
8 | 1 | 2 | ALA | HB3 | H | 1.344 | 0.017 | 1 |
9 | 1 | 2 | ALA | CA | C | 49.705 | 0.000 | 1 |
10 | 1 | 2 | ALA | CB | C | 16.658 | 0.000 | 1 |
11 | 1 | 2 | ALA | N | N | 123.313 | 0.000 | 1 |
12 | 1 | 3 | CYS | H | H | 8.630 | 0.016 | 1 |
13 | 1 | 3 | CYS | HA | H | 4.826 | 0.009 | 1 |
14 | 1 | 3 | CYS | HB2 | H | 3.012 | 0.014 | 2 |
15 | 1 | 3 | CYS | HB3 | H | 2.875 | 0.012 | 2 |
16 | 1 | 3 | CYS | CA | C | 60.219 | 0.000 | 1 |
17 | 1 | 3 | CYS | CB | C | 37.357 | 2.264 | 1 |
18 | 1 | 3 | CYS | N | N | 120.688 | 0.000 | 1 |
19 | 1 | 4 | GLU | H | H | 8.129 | 0.008 | 1 |
20 | 1 | 4 | GLU | HA | H | 4.614 | 0.008 | 1 |
21 | 1 | 4 | GLU | HB2 | H | 1.761 | 0.012 | 1 |
22 | 1 | 4 | GLU | HB3 | H | 1.760 | 0.011 | 1 |
23 | 1 | 4 | GLU | HG2 | H | 2.248 | 0.002 | 2 |
24 | 1 | 4 | GLU | HG3 | H | 2.120 | 0.018 | 2 |
25 | 1 | 4 | GLU | CA | C | 52.595 | 0.000 | 1 |
26 | 1 | 4 | GLU | CB | C | 28.598 | 0.000 | 1 |
27 | 1 | 4 | GLU | CG | C | 33.157 | 0.037 | 1 |
28 | 1 | 4 | GLU | N | N | 123.956 | 0.000 | 1 |
29 | 1 | 5 | ASN | H | H | 9.197 | 0.013 | 1 |
30 | 1 | 5 | ASN | HA | H | 4.640 | 0.004 | 1 |
31 | 1 | 5 | ASN | HB2 | H | 3.236 | 0.018 | 2 |
32 | 1 | 5 | ASN | HB3 | H | 2.892 | 0.010 | 2 |
33 | 1 | 5 | ASN | HD21 | H | 8.265 | 0.005 | 1 |
34 | 1 | 5 | ASN | HD22 | H | 7.436 | 0.005 | 1 |
35 | 1 | 5 | ASN | CA | C | 50.820 | 0.000 | 1 |
36 | 1 | 5 | ASN | CB | C | 37.735 | 0.013 | 1 |
37 | 1 | 5 | ASN | N | N | 119.688 | 0.000 | 1 |
38 | 1 | 5 | ASN | ND2 | N | 116.693 | 0.002 | 1 |
39 | 1 | 6 | ASN | H | H | 7.995 | 0.011 | 1 |
40 | 1 | 6 | ASN | HA | H | 4.891 | 0.005 | 1 |
41 | 1 | 6 | ASN | HB2 | H | 2.898 | 0.007 | 2 |
42 | 1 | 6 | ASN | HB3 | H | 2.814 | 0.006 | 2 |
43 | 1 | 6 | ASN | HD21 | H | 7.744 | 0.009 | 1 |
44 | 1 | 6 | ASN | HD22 | H | 6.952 | 0.010 | 1 |
45 | 1 | 6 | ASN | CA | C | 52.222 | 0.000 | 1 |
46 | 1 | 6 | ASN | CB | C | 37.847 | 0.019 | 1 |
47 | 1 | 6 | ASN | N | N | 118.689 | 0.000 | 1 |
48 | 1 | 6 | ASN | ND2 | N | 113.601 | 0.001 | 1 |
49 | 1 | 7 | PHE | H | H | 7.337 | 0.004 | 1 |
50 | 1 | 7 | PHE | HA | H | 4.911 | 0.004 | 1 |
51 | 1 | 7 | PHE | HB2 | H | 3.237 | 0.014 | 1 |
52 | 1 | 7 | PHE | HB3 | H | 3.237 | 0.014 | 1 |
53 | 1 | 7 | PHE | HD1 | H | 7.154 | 0.021 | 1 |
54 | 1 | 7 | PHE | HD2 | H | 7.154 | 0.021 | 1 |
55 | 1 | 7 | PHE | HE1 | H | 7.404 | 0.034 | 1 |
56 | 1 | 7 | PHE | HE2 | H | 7.404 | 0.034 | 1 |
57 | 1 | 7 | PHE | HZ | H | 7.429 | 0.010 | 1 |
58 | 1 | 7 | PHE | CA | C | 57.596 | 0.000 | 1 |
59 | 1 | 7 | PHE | CB | C | 40.477 | 0.000 | 1 |
60 | 1 | 7 | PHE | CD1 | C | 127.052 | 0.000 | 1 |
61 | 1 | 7 | PHE | CD2 | C | 127.052 | 0.000 | 1 |
62 | 1 | 7 | PHE | CE1 | C | 126.733 | 0.000 | 1 |
63 | 1 | 7 | PHE | CE2 | C | 126.733 | 0.000 | 1 |
64 | 1 | 7 | PHE | CZ | C | 128.752 | 0.000 | 1 |
65 | 1 | 7 | PHE | N | N | 118.370 | 0.000 | 1 |
66 | 1 | 8 | SER | H | H | 8.457 | 0.007 | 1 |
67 | 1 | 8 | SER | HA | H | 4.278 | 0.023 | 1 |
68 | 1 | 8 | SER | HB2 | H | 4.018 | 0.015 | 2 |
69 | 1 | 8 | SER | HB3 | H | 4.236 | 0.014 | 2 |
70 | 1 | 8 | SER | CA | C | 55.175 | 0.000 | 1 |
71 | 1 | 8 | SER | CB | C | 61.294 | 0.000 | 1 |
72 | 1 | 8 | SER | N | N | 113.624 | 0.000 | 1 |
73 | 1 | 9 | ASP | H | H | 8.847 | 0.004 | 1 |
74 | 1 | 9 | ASP | HA | H | 4.124 | 0.008 | 1 |
75 | 1 | 9 | ASP | HB2 | H | 2.615 | 0.005 | 2 |
76 | 1 | 9 | ASP | HB3 | H | 2.706 | 0.010 | 2 |
77 | 1 | 9 | ASP | CA | C | 56.160 | 0.000 | 1 |
78 | 1 | 9 | ASP | CB | C | 36.583 | 0.000 | 1 |
79 | 1 | 9 | ASP | N | N | 123.526 | 0.000 | 1 |
80 | 1 | 10 | ARG | H | H | 8.322 | 0.008 | 1 |
81 | 1 | 10 | ARG | HA | H | 4.059 | 0.007 | 1 |
82 | 1 | 10 | ARG | HB2 | H | 1.746 | 0.029 | 2 |
83 | 1 | 10 | ARG | HB3 | H | 1.858 | 0.012 | 2 |
84 | 1 | 10 | ARG | HG2 | H | 1.691 | 0.018 | 1 |
85 | 1 | 10 | ARG | HG3 | H | 1.692 | 0.018 | 1 |
86 | 1 | 10 | ARG | HD2 | H | 3.218 | 0.006 | 1 |
87 | 1 | 10 | ARG | HD3 | H | 3.218 | 0.006 | 1 |
88 | 1 | 10 | ARG | HE | H | 7.234 | 0.003 | 1 |
89 | 1 | 10 | ARG | CA | C | 56.635 | 0.000 | 1 |
90 | 1 | 10 | ARG | CB | C | 29.332 | 0.005 | 1 |
91 | 1 | 10 | ARG | CG | C | 26.926 | 0.000 | 1 |
92 | 1 | 10 | ARG | CD | C | 41.182 | 0.000 | 1 |
93 | 1 | 10 | ARG | N | N | 117.378 | 0.000 | 1 |
94 | 1 | 10 | ARG | NE | N | 84.524 | 0.000 | 1 |
95 | 1 | 11 | GLU | H | H | 7.752 | 0.011 | 1 |
96 | 1 | 11 | GLU | HA | H | 4.245 | 0.005 | 1 |
97 | 1 | 11 | GLU | HB2 | H | 2.053 | 0.010 | 1 |
98 | 1 | 11 | GLU | HB3 | H | 2.053 | 0.010 | 1 |
99 | 1 | 11 | GLU | HG2 | H | 2.195 | 0.005 | 1 |
100 | 1 | 11 | GLU | HG3 | H | 2.196 | 0.005 | 1 |
101 | 1 | 11 | GLU | CA | C | 54.664 | 0.000 | 1 |
102 | 1 | 11 | GLU | CB | C | 26.399 | 0.000 | 1 |
103 | 1 | 11 | GLU | CG | C | 31.199 | 0.000 | 1 |
104 | 1 | 11 | GLU | N | N | 122.332 | 0.000 | 1 |
105 | 1 | 12 | CYS | H | H | 8.609 | 0.004 | 1 |
106 | 1 | 12 | CYS | HA | H | 4.543 | 0.007 | 1 |
107 | 1 | 12 | CYS | HB2 | H | 2.914 | 0.028 | 2 |
108 | 1 | 12 | CYS | HB3 | H | 2.951 | 0.014 | 2 |
109 | 1 | 12 | CYS | CA | C | 52.713 | 0.000 | 1 |
110 | 1 | 12 | CYS | CB | C | 36.096 | 0.003 | 1 |
111 | 1 | 12 | CYS | N | N | 117.300 | 0.000 | 1 |
112 | 1 | 13 | GLU | H | H | 8.379 | 0.004 | 1 |
113 | 1 | 13 | GLU | HA | H | 3.970 | 0.005 | 1 |
114 | 1 | 13 | GLU | HB2 | H | 2.100 | 0.006 | 1 |
115 | 1 | 13 | GLU | HB3 | H | 2.099 | 0.009 | 1 |
116 | 1 | 13 | GLU | HG2 | H | 2.382 | 0.004 | 1 |
117 | 1 | 13 | GLU | HG3 | H | 2.380 | 0.006 | 1 |
118 | 1 | 13 | GLU | CB | C | 27.771 | 0.000 | 1 |
119 | 1 | 13 | GLU | CG | C | 33.286 | 0.000 | 1 |
120 | 1 | 13 | GLU | N | N | 116.643 | 0.000 | 1 |
121 | 1 | 14 | ARG | H | H | 7.974 | 0.010 | 1 |
122 | 1 | 14 | ARG | HA | H | 4.137 | 0.013 | 1 |
123 | 1 | 14 | ARG | HB2 | H | 2.033 | 0.009 | 1 |
124 | 1 | 14 | ARG | HB3 | H | 2.034 | 0.009 | 1 |
125 | 1 | 14 | ARG | HG2 | H | 1.694 | 0.019 | 2 |
126 | 1 | 14 | ARG | HG3 | H | 1.767 | 0.019 | 2 |
127 | 1 | 14 | ARG | HD2 | H | 3.125 | 0.016 | 2 |
128 | 1 | 14 | ARG | HD3 | H | 3.314 | 0.014 | 2 |
129 | 1 | 14 | ARG | HE | H | 7.708 | 0.036 | 1 |
130 | 1 | 14 | ARG | CA | C | 56.742 | 0.086 | 1 |
131 | 1 | 14 | ARG | CB | C | 29.948 | 0.000 | 1 |
132 | 1 | 14 | ARG | CG | C | 27.086 | 0.007 | 1 |
133 | 1 | 14 | ARG | CD | C | 40.976 | 0.243 | 1 |
134 | 1 | 14 | ARG | N | N | 120.693 | 0.000 | 1 |
135 | 1 | 14 | ARG | NE | N | 83.554 | 0.000 | 1 |
136 | 1 | 15 | ARG | H | H | 7.768 | 0.010 | 1 |
137 | 1 | 15 | ARG | HA | H | 4.402 | 0.016 | 1 |
138 | 1 | 15 | ARG | HB2 | H | 2.459 | 0.010 | 1 |
139 | 1 | 15 | ARG | HB3 | H | 2.459 | 0.011 | 1 |
140 | 1 | 15 | ARG | HG2 | H | 1.792 | 0.021 | 2 |
141 | 1 | 15 | ARG | HG3 | H | 1.541 | 0.010 | 2 |
142 | 1 | 15 | ARG | HD2 | H | 3.049 | 0.016 | 2 |
143 | 1 | 15 | ARG | HD3 | H | 3.331 | 0.001 | 2 |
144 | 1 | 15 | ARG | HE | H | 7.305 | 0.012 | 1 |
145 | 1 | 15 | ARG | CB | C | 28.380 | 0.000 | 1 |
146 | 1 | 15 | ARG | CG | C | 24.283 | 0.030 | 1 |
147 | 1 | 15 | ARG | CD | C | 41.771 | 0.012 | 1 |
148 | 1 | 15 | ARG | N | N | 117.043 | 0.000 | 1 |
149 | 1 | 15 | ARG | NE | N | 84.627 | 0.000 | 1 |
150 | 1 | 16 | LYS | H | H | 7.069 | 0.006 | 1 |
151 | 1 | 16 | LYS | HA | H | 4.201 | 0.004 | 1 |
152 | 1 | 16 | LYS | HG2 | H | 1.764 | 0.009 | 2 |
153 | 1 | 16 | LYS | HG3 | H | 1.586 | 0.002 | 2 |
154 | 1 | 16 | LYS | HD2 | H | 2.005 | 0.022 | 2 |
155 | 1 | 16 | LYS | HD3 | H | 1.975 | 0.019 | 2 |
156 | 1 | 16 | LYS | HE2 | H | 3.019 | 0.011 | 1 |
157 | 1 | 16 | LYS | HE3 | H | 3.019 | 0.010 | 1 |
158 | 1 | 16 | LYS | CA | C | 57.386 | 0.000 | 1 |
159 | 1 | 16 | LYS | CG | C | 25.198 | 0.000 | 1 |
160 | 1 | 16 | LYS | CD | C | 27.693 | 0.003 | 1 |
161 | 1 | 16 | LYS | CE | C | 39.407 | 0.000 | 1 |
162 | 1 | 16 | LYS | N | N | 119.603 | 0.000 | 1 |
163 | 1 | 17 | LYS | H | H | 8.641 | 0.007 | 1 |
164 | 1 | 17 | LYS | HA | H | 4.146 | 0.005 | 1 |
165 | 1 | 17 | LYS | HB2 | H | 1.673 | 0.022 | 1 |
166 | 1 | 17 | LYS | HB3 | H | 1.671 | 0.022 | 1 |
167 | 1 | 17 | LYS | HG2 | H | 1.443 | 0.021 | 2 |
168 | 1 | 17 | LYS | HG3 | H | 1.412 | 0.027 | 2 |
169 | 1 | 17 | LYS | HD2 | H | 1.769 | 0.015 | 1 |
170 | 1 | 17 | LYS | HD3 | H | 1.768 | 0.015 | 1 |
171 | 1 | 17 | LYS | HE2 | H | 2.982 | 0.011 | 1 |
172 | 1 | 17 | LYS | HE3 | H | 2.978 | 0.005 | 1 |
173 | 1 | 17 | LYS | HZ1 | H | 7.072 | 0.003 | 1 |
174 | 1 | 17 | LYS | HZ2 | H | 7.072 | 0.003 | 1 |
175 | 1 | 17 | LYS | HZ3 | H | 7.072 | 0.003 | 1 |
176 | 1 | 17 | LYS | CB | C | 39.300 | 0.000 | 1 |
177 | 1 | 17 | LYS | CG | C | 21.853 | 0.010 | 1 |
178 | 1 | 17 | LYS | CD | C | 29.599 | 0.000 | 1 |
179 | 1 | 17 | LYS | CE | C | 41.925 | 0.000 | 1 |
180 | 1 | 17 | LYS | N | N | 120.565 | 0.000 | 1 |
181 | 1 | 18 | ASP | H | H | 8.594 | 0.037 | 1 |
182 | 1 | 18 | ASP | HA | H | 4.386 | 0.010 | 1 |
183 | 1 | 18 | ASP | HB2 | H | 1.783 | 0.023 | 2 |
184 | 1 | 18 | ASP | HB3 | H | 1.633 | 0.024 | 2 |
185 | 1 | 18 | ASP | CB | C | 40.580 | 0.000 | 1 |
186 | 1 | 18 | ASP | N | N | 121.129 | 0.000 | 1 |
187 | 1 | 19 | CYS | H | H | 8.004 | 0.012 | 1 |
188 | 1 | 19 | CYS | HA | H | 4.415 | 0.015 | 1 |
189 | 1 | 19 | CYS | HB2 | H | 3.026 | 0.013 | 2 |
190 | 1 | 19 | CYS | HB3 | H | 3.340 | 0.005 | 2 |
191 | 1 | 19 | CYS | CA | C | 55.160 | 0.000 | 1 |
192 | 1 | 19 | CYS | CB | C | 34.515 | 0.011 | 1 |
193 | 1 | 19 | CYS | N | N | 117.973 | 0.000 | 1 |
194 | 1 | 20 | ASP | H | H | 7.664 | 0.009 | 1 |
195 | 1 | 20 | ASP | HA | H | 4.607 | 0.002 | 1 |
196 | 1 | 20 | ASP | HB2 | H | 2.672 | 0.007 | 2 |
197 | 1 | 20 | ASP | HB3 | H | 2.784 | 0.012 | 2 |
198 | 1 | 20 | ASP | CA | C | 55.803 | 0.000 | 1 |
199 | 1 | 20 | ASP | CB | C | 38.262 | 0.005 | 1 |
200 | 1 | 20 | ASP | N | N | 113.870 | 0.000 | 1 |
201 | 1 | 21 | SER | H | H | 7.403 | 0.008 | 1 |
202 | 1 | 21 | SER | HA | H | 4.604 | 0.005 | 1 |
203 | 1 | 21 | SER | HB2 | H | 3.907 | 0.006 | 2 |
204 | 1 | 21 | SER | HB3 | H | 3.744 | 0.009 | 2 |
205 | 1 | 21 | SER | CA | C | 51.416 | 0.000 | 1 |
206 | 1 | 21 | SER | CB | C | 61.981 | 0.003 | 1 |
207 | 1 | 21 | SER | N | N | 116.561 | 0.000 | 1 |
208 | 1 | 22 | SER | H | H | 7.515 | 0.012 | 1 |
209 | 1 | 22 | SER | HA | H | 4.936 | 0.004 | 1 |
210 | 1 | 22 | SER | HB2 | H | 3.899 | 0.006 | 1 |
211 | 1 | 22 | SER | HB3 | H | 3.900 | 0.007 | 1 |
212 | 1 | 22 | SER | CA | C | 59.363 | 0.000 | 1 |
213 | 1 | 22 | SER | CB | C | 60.109 | 0.000 | 1 |
214 | 1 | 22 | SER | N | N | 115.894 | 0.000 | 1 |
215 | 1 | 23 | MET | H | H | 8.977 | 0.001 | 1 |
216 | 1 | 23 | MET | HA | H | 4.115 | 0.007 | 1 |
217 | 1 | 23 | MET | HB2 | H | 2.052 | 0.010 | 2 |
218 | 1 | 23 | MET | HB3 | H | 2.129 | 0.007 | 2 |
219 | 1 | 23 | MET | HG2 | H | 2.600 | 0.017 | 2 |
220 | 1 | 23 | MET | HG3 | H | 2.503 | 0.022 | 2 |
221 | 1 | 23 | MET | HE1 | H | 2.062 | 0.018 | 1 |
222 | 1 | 23 | MET | HE2 | H | 2.062 | 0.018 | 1 |
223 | 1 | 23 | MET | HE3 | H | 2.062 | 0.018 | 1 |
224 | 1 | 23 | MET | CA | C | 55.541 | 0.000 | 1 |
225 | 1 | 23 | MET | CB | C | 29.185 | 0.005 | 1 |
226 | 1 | 23 | MET | CG | C | 29.195 | 0.021 | 1 |
227 | 1 | 23 | MET | CE | C | 14.327 | 0.000 | 1 |
228 | 1 | 23 | MET | N | N | 130.367 | 0.000 | 1 |
229 | 1 | 24 | LYS | H | H | 8.446 | 0.005 | 1 |
230 | 1 | 24 | LYS | HA | H | 3.999 | 0.010 | 1 |
231 | 1 | 24 | LYS | HB2 | H | 1.855 | 0.011 | 1 |
232 | 1 | 24 | LYS | HB3 | H | 1.854 | 0.012 | 1 |
233 | 1 | 24 | LYS | HG2 | H | 1.360 | 0.001 | 2 |
234 | 1 | 24 | LYS | HG3 | H | 1.518 | 0.014 | 2 |
235 | 1 | 24 | LYS | HD2 | H | 1.688 | 0.007 | 1 |
236 | 1 | 24 | LYS | HD3 | H | 1.687 | 0.007 | 1 |
237 | 1 | 24 | LYS | HE2 | H | 2.949 | 0.011 | 1 |
238 | 1 | 24 | LYS | HE3 | H | 2.949 | 0.011 | 1 |
239 | 1 | 24 | LYS | CA | C | 56.834 | 0.017 | 1 |
240 | 1 | 24 | LYS | CB | C | 29.662 | 0.000 | 1 |
241 | 1 | 24 | LYS | CG | C | 22.590 | 0.018 | 1 |
242 | 1 | 24 | LYS | CD | C | 27.601 | 0.000 | 1 |
243 | 1 | 24 | LYS | CE | C | 39.934 | 0.000 | 1 |
244 | 1 | 24 | LYS | N | N | 113.830 | 0.000 | 1 |
245 | 1 | 25 | PHE | H | H | 7.937 | 0.009 | 1 |
246 | 1 | 25 | PHE | HA | H | 3.923 | 0.015 | 1 |
247 | 1 | 25 | PHE | HB2 | H | 3.087 | 0.023 | 2 |
248 | 1 | 25 | PHE | HB3 | H | 3.142 | 0.013 | 2 |
249 | 1 | 25 | PHE | HD1 | H | 6.967 | 0.006 | 1 |
250 | 1 | 25 | PHE | HD2 | H | 6.967 | 0.006 | 1 |
251 | 1 | 25 | PHE | HE1 | H | 7.412 | 0.016 | 1 |
252 | 1 | 25 | PHE | HE2 | H | 7.412 | 0.016 | 1 |
253 | 1 | 25 | PHE | HZ | H | 7.169 | 0.016 | 1 |
254 | 1 | 25 | PHE | CA | C | 58.703 | 0.000 | 1 |
255 | 1 | 25 | PHE | CB | C | 36.727 | 0.005 | 1 |
256 | 1 | 25 | PHE | CD1 | C | 128.506 | 0.000 | 1 |
257 | 1 | 25 | PHE | CD2 | C | 128.506 | 0.000 | 1 |
258 | 1 | 25 | PHE | CE1 | C | 128.732 | 0.000 | 1 |
259 | 1 | 25 | PHE | CE2 | C | 128.732 | 0.000 | 1 |
260 | 1 | 25 | PHE | CZ | C | 128.175 | 0.000 | 1 |
261 | 1 | 25 | PHE | N | N | 120.927 | 0.000 | 1 |
262 | 1 | 26 | ARG | H | H | 8.056 | 0.005 | 1 |
263 | 1 | 26 | ARG | HA | H | 4.202 | 0.004 | 1 |
264 | 1 | 26 | ARG | HB2 | H | 1.972 | 0.007 | 2 |
265 | 1 | 26 | ARG | HB3 | H | 2.115 | 0.005 | 2 |
266 | 1 | 26 | ARG | HG2 | H | 1.643 | 0.013 | 1 |
267 | 1 | 26 | ARG | HG3 | H | 1.643 | 0.014 | 1 |
268 | 1 | 26 | ARG | HD2 | H | 3.273 | 0.010 | 2 |
269 | 1 | 26 | ARG | HD3 | H | 3.465 | 0.007 | 2 |
270 | 1 | 26 | ARG | HE | H | 7.435 | 0.021 | 1 |
271 | 1 | 26 | ARG | CA | C | 55.540 | 0.000 | 1 |
272 | 1 | 26 | ARG | CB | C | 29.549 | 0.005 | 1 |
273 | 1 | 26 | ARG | CG | C | 26.507 | 0.000 | 1 |
274 | 1 | 26 | ARG | CD | C | 40.794 | 0.001 | 1 |
275 | 1 | 26 | ARG | N | N | 114.691 | 0.000 | 1 |
276 | 1 | 26 | ARG | NE | N | 84.923 | 0.000 | 1 |
277 | 1 | 27 | GLU | H | H | 8.252 | 0.009 | 1 |
278 | 1 | 27 | GLU | HA | H | 4.277 | 0.019 | 1 |
279 | 1 | 27 | GLU | HB2 | H | 2.000 | 0.021 | 2 |
280 | 1 | 27 | GLU | HB3 | H | 2.050 | 0.015 | 2 |
281 | 1 | 27 | GLU | HG2 | H | 2.370 | 0.010 | 2 |
282 | 1 | 27 | GLU | HG3 | H | 2.545 | 0.015 | 2 |
283 | 1 | 27 | GLU | CA | C | 55.979 | 0.000 | 1 |
284 | 1 | 27 | GLU | CB | C | 29.549 | 0.013 | 1 |
285 | 1 | 27 | GLU | CG | C | 32.773 | 0.126 | 1 |
286 | 1 | 27 | GLU | N | N | 115.520 | 0.000 | 1 |
287 | 1 | 28 | LEU | H | H | 8.142 | 0.015 | 1 |
288 | 1 | 28 | LEU | HA | H | 4.534 | 0.007 | 1 |
289 | 1 | 28 | LEU | HB2 | H | 1.540 | 0.009 | 1 |
290 | 1 | 28 | LEU | HB3 | H | 1.540 | 0.009 | 1 |
291 | 1 | 28 | LEU | HG | H | 1.836 | 0.019 | 1 |
292 | 1 | 28 | LEU | HD11 | H | 0.808 | 0.005 | 2 |
293 | 1 | 28 | LEU | HD12 | H | 0.808 | 0.005 | 2 |
294 | 1 | 28 | LEU | HD13 | H | 0.808 | 0.005 | 2 |
295 | 1 | 28 | LEU | HD21 | H | 0.885 | 0.006 | 2 |
296 | 1 | 28 | LEU | HD22 | H | 0.885 | 0.006 | 2 |
297 | 1 | 28 | LEU | HD23 | H | 0.885 | 0.006 | 2 |
298 | 1 | 28 | LEU | CA | C | 52.936 | 0.000 | 1 |
299 | 1 | 28 | LEU | CB | C | 39.023 | 1.135 | 1 |
300 | 1 | 28 | LEU | CG | C | 27.360 | 0.000 | 1 |
301 | 1 | 28 | LEU | CD1 | C | 20.419 | 0.000 | 2 |
302 | 1 | 28 | LEU | CD2 | C | 22.293 | 0.000 | 2 |
303 | 1 | 28 | LEU | N | N | 116.681 | 0.128 | 1 |
304 | 1 | 29 | SER | H | H | 7.692 | 0.007 | 1 |
305 | 1 | 29 | SER | HA | H | 3.969 | 0.022 | 1 |
306 | 1 | 29 | SER | HB2 | H | 2.380 | 0.010 | 2 |
307 | 1 | 29 | SER | HB3 | H | 3.063 | 0.018 | 2 |
308 | 1 | 29 | SER | CA | C | 58.903 | 0.000 | 1 |
309 | 1 | 29 | SER | CB | C | 58.936 | 0.002 | 1 |
310 | 1 | 29 | SER | N | N | 115.417 | 0.000 | 1 |
311 | 1 | 30 | CYS | H | H | 8.159 | 0.015 | 1 |
312 | 1 | 30 | CYS | HA | H | 5.253 | 0.009 | 1 |
313 | 1 | 30 | CYS | HB2 | H | 1.538 | 0.010 | 2 |
314 | 1 | 30 | CYS | HB3 | H | 2.739 | 0.008 | 2 |
315 | 1 | 30 | CYS | CA | C | 50.912 | 0.000 | 1 |
316 | 1 | 30 | CYS | CB | C | 38.264 | 0.002 | 1 |
317 | 1 | 30 | CYS | N | N | 118.819 | 0.000 | 1 |
318 | 1 | 31 | PRO | HA | H | 4.531 | 0.010 | 1 |
319 | 1 | 31 | PRO | HB2 | H | 2.029 | 0.008 | 2 |
320 | 1 | 31 | PRO | HB3 | H | 1.942 | 0.012 | 2 |
321 | 1 | 31 | PRO | HG2 | H | 1.799 | 0.018 | 2 |
322 | 1 | 31 | PRO | HG3 | H | 1.945 | 0.015 | 2 |
323 | 1 | 31 | PRO | HD2 | H | 2.883 | 0.013 | 2 |
324 | 1 | 31 | PRO | HD3 | H | 3.476 | 0.013 | 2 |
325 | 1 | 31 | PRO | CA | C | 62.674 | 0.000 | 1 |
326 | 1 | 31 | PRO | CB | C | 24.831 | 0.023 | 1 |
327 | 1 | 31 | PRO | CG | C | 28.653 | 0.021 | 1 |
328 | 1 | 31 | PRO | CD | C | 47.729 | 0.002 | 1 |
329 | 1 | 32 | LYS | H | H | 6.881 | 0.011 | 1 |
330 | 1 | 32 | LYS | HA | H | 4.080 | 0.017 | 1 |
331 | 1 | 32 | LYS | HB2 | H | 1.754 | 0.023 | 2 |
332 | 1 | 32 | LYS | HB3 | H | 1.614 | 0.012 | 2 |
333 | 1 | 32 | LYS | HG2 | H | 1.145 | 0.009 | 2 |
334 | 1 | 32 | LYS | HG3 | H | 1.389 | 0.004 | 2 |
335 | 1 | 32 | LYS | HD2 | H | 1.284 | 0.006 | 2 |
336 | 1 | 32 | LYS | HD3 | H | 1.471 | 0.010 | 2 |
337 | 1 | 32 | LYS | HE2 | H | 2.982 | 0.023 | 2 |
338 | 1 | 32 | LYS | HE3 | H | 2.884 | 0.016 | 2 |
339 | 1 | 32 | LYS | CA | C | 56.296 | 0.000 | 1 |
340 | 1 | 32 | LYS | CB | C | 35.210 | 0.021 | 1 |
341 | 1 | 32 | LYS | CG | C | 22.035 | 0.035 | 1 |
342 | 1 | 32 | LYS | CD | C | 29.426 | 0.002 | 1 |
343 | 1 | 32 | LYS | CE | C | 39.699 | 0.003 | 1 |
344 | 1 | 32 | LYS | N | N | 117.826 | 0.000 | 1 |
345 | 1 | 33 | THR | H | H | 8.394 | 0.007 | 1 |
346 | 1 | 33 | THR | HA | H | 3.916 | 0.003 | 1 |
347 | 1 | 33 | THR | HB | H | 3.703 | 0.005 | 1 |
348 | 1 | 33 | THR | HG21 | H | 1.155 | 0.004 | 1 |
349 | 1 | 33 | THR | HG22 | H | 1.155 | 0.004 | 1 |
350 | 1 | 33 | THR | HG23 | H | 1.155 | 0.004 | 1 |
351 | 1 | 33 | THR | CA | C | 64.639 | 0.000 | 1 |
352 | 1 | 33 | THR | CB | C | 66.831 | 0.000 | 1 |
353 | 1 | 33 | THR | CG2 | C | 18.804 | 0.000 | 1 |
354 | 1 | 33 | THR | N | N | 120.668 | 0.000 | 1 |
355 | 1 | 34 | CYS | H | H | 8.489 | 0.006 | 1 |
356 | 1 | 34 | CYS | HA | H | 4.860 | 0.014 | 1 |
357 | 1 | 34 | CYS | HB2 | H | 2.798 | 0.013 | 2 |
358 | 1 | 34 | CYS | HB3 | H | 3.391 | 0.013 | 2 |
359 | 1 | 34 | CYS | CA | C | 59.700 | 0.000 | 1 |
360 | 1 | 34 | CYS | CB | C | 33.052 | 0.004 | 1 |
361 | 1 | 34 | CYS | N | N | 113.601 | 0.000 | 1 |
362 | 1 | 35 | GLY | H | H | 7.796 | 0.009 | 1 |
363 | 1 | 35 | GLY | HA2 | H | 4.074 | 0.010 | 1 |
364 | 1 | 35 | GLY | HA3 | H | 4.074 | 0.011 | 1 |
365 | 1 | 35 | GLY | CA | C | 43.881 | 0.000 | 1 |
366 | 1 | 35 | GLY | N | N | 109.359 | 0.000 | 1 |
367 | 1 | 36 | THR | H | H | 8.762 | 0.006 | 1 |
368 | 1 | 36 | THR | HA | H | 4.146 | 0.018 | 1 |
369 | 1 | 36 | THR | HB | H | 4.330 | 0.003 | 1 |
370 | 1 | 36 | THR | HG21 | H | 1.120 | 0.016 | 1 |
371 | 1 | 36 | THR | HG22 | H | 1.120 | 0.016 | 1 |
372 | 1 | 36 | THR | HG23 | H | 1.120 | 0.016 | 1 |
373 | 1 | 36 | THR | CA | C | 59.902 | 0.000 | 1 |
374 | 1 | 36 | THR | CB | C | 65.831 | 0.000 | 1 |
375 | 1 | 36 | THR | CG2 | C | 20.178 | 0.000 | 1 |
376 | 1 | 36 | THR | N | N | 115.026 | 0.000 | 1 |
377 | 1 | 37 | CYS | H | H | 7.537 | 0.008 | 1 |
378 | 1 | 37 | CYS | HA | H | 4.399 | 0.010 | 1 |
379 | 1 | 37 | CYS | HB2 | H | 3.428 | 0.011 | 2 |
380 | 1 | 37 | CYS | HB3 | H | 2.894 | 0.010 | 2 |
381 | 1 | 37 | CYS | CA | C | 53.054 | 0.000 | 1 |
382 | 1 | 37 | CYS | CB | C | 36.332 | 0.106 | 1 |
383 | 1 | 37 | CYS | N | N | 121.523 | 0.000 | 1 |