NMR Structure of Schistocin-1 antimicrobial peptide in presence of DPC-d38 micelles
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 2 | ILE | H | H | 9.3228 | ||
2 | 1 | 2 | ILE | HA | H | 3.9351 | ||
3 | 1 | 2 | ILE | HB | H | 1.9189 | ||
4 | 1 | 2 | ILE | HG12 | H | 1.5706 | ||
5 | 1 | 2 | ILE | HG13 | H | 1.7012 | ||
6 | 1 | 2 | ILE | HG21 | H | 1.2941 | ||
7 | 1 | 2 | ILE | HG22 | H | 1.2941 | ||
8 | 1 | 2 | ILE | HG23 | H | 1.2941 | ||
9 | 1 | 2 | ILE | HD11 | H | 0.9611 | ||
10 | 1 | 2 | ILE | HD12 | H | 0.9611 | ||
11 | 1 | 2 | ILE | HD13 | H | 0.9611 | ||
12 | 1 | 2 | ILE | CA | C | 63.7710 | ||
13 | 1 | 2 | ILE | CB | C | 38.1862 | ||
14 | 1 | 2 | ILE | CD1 | C | 17.8970 | ||
15 | 1 | 3 | LEU | H | H | 8.6646 | ||
16 | 1 | 3 | LEU | HA | H | 4.0780 | ||
17 | 1 | 3 | LEU | HB2 | H | 1.7081 | ||
18 | 1 | 3 | LEU | HB3 | H | 1.7081 | ||
19 | 1 | 3 | LEU | HG | H | 1.5709 | ||
20 | 1 | 3 | LEU | HD11 | H | 0.9591 | ||
21 | 1 | 3 | LEU | HD12 | H | 0.9591 | ||
22 | 1 | 3 | LEU | HD13 | H | 0.9591 | ||
23 | 1 | 3 | LEU | HD21 | H | 0.9591 | ||
24 | 1 | 3 | LEU | HD22 | H | 0.9591 | ||
25 | 1 | 3 | LEU | HD23 | H | 0.9591 | ||
26 | 1 | 3 | LEU | CA | C | 57.6319 | ||
27 | 1 | 3 | LEU | CB | C | 40.9160 | ||
28 | 1 | 3 | LEU | CG | C | 28.9916 | ||
29 | 1 | 4 | ASP | H | H | 7.7570 | ||
30 | 1 | 4 | ASP | HA | H | 4.4921 | ||
31 | 1 | 4 | ASP | HB2 | H | 2.7885 | ||
32 | 1 | 4 | ASP | HB3 | H | 2.7885 | ||
33 | 1 | 4 | ASP | CA | C | 56.2499 | ||
34 | 1 | 4 | ASP | CB | C | 41.7921 | ||
35 | 1 | 5 | ILE | H | H | 7.7885 | ||
36 | 1 | 5 | ILE | HA | H | 3.7421 | ||
37 | 1 | 5 | ILE | HB | H | 2.0407 | ||
38 | 1 | 5 | ILE | HG12 | H | 0.8900 | ||
39 | 1 | 5 | ILE | HG13 | H | 1.6901 | ||
40 | 1 | 5 | ILE | HG21 | H | 1.2216 | ||
41 | 1 | 5 | ILE | HG22 | H | 1.2216 | ||
42 | 1 | 5 | ILE | HG23 | H | 1.2216 | ||
43 | 1 | 5 | ILE | HD11 | H | 0.8950 | ||
44 | 1 | 5 | ILE | HD12 | H | 0.8950 | ||
45 | 1 | 5 | ILE | HD13 | H | 0.8950 | ||
46 | 1 | 5 | ILE | CA | C | 64.5078 | ||
47 | 1 | 5 | ILE | CB | C | 37.8072 | ||
48 | 1 | 5 | ILE | CG1 | C | 29.2940 | ||
49 | 1 | 5 | ILE | CD1 | C | 13.7017 | ||
50 | 1 | 6 | LYS | H | H | 8.4053 | ||
51 | 1 | 6 | LYS | HA | H | 3.7609 | ||
52 | 1 | 6 | LYS | HB2 | H | 2.0115 | ||
53 | 1 | 6 | LYS | HB3 | H | 1.8700 | ||
54 | 1 | 6 | LYS | HG2 | H | 1.5265 | ||
55 | 1 | 6 | LYS | HG3 | H | 1.5265 | ||
56 | 1 | 6 | LYS | HD2 | H | 1.6914 | ||
57 | 1 | 6 | LYS | HD3 | H | 1.6914 | ||
58 | 1 | 6 | LYS | HE2 | H | 2.8604 | ||
59 | 1 | 6 | LYS | HE3 | H | 2.8604 | ||
60 | 1 | 6 | LYS | CA | C | 60.6807 | ||
61 | 1 | 6 | LYS | CB | C | 32.8480 | ||
62 | 1 | 6 | LYS | CG | C | 25.4928 | ||
63 | 1 | 6 | LYS | CD | C | 29.6380 | ||
64 | 1 | 6 | LYS | CE | C | 41.8066 | ||
65 | 1 | 7 | ASN | H | H | 8.1973 | ||
66 | 1 | 7 | ASN | HA | H | 4.4826 | ||
67 | 1 | 7 | ASN | HB2 | H | 2.9238 | ||
68 | 1 | 7 | ASN | HB3 | H | 2.8299 | ||
69 | 1 | 7 | ASN | HD21 | H | 7.7772 | ||
70 | 1 | 7 | ASN | HD22 | H | 6.8933 | ||
71 | 1 | 7 | ASN | CA | C | 55.9920 | ||
72 | 1 | 7 | ASN | CB | C | 38.0430 | ||
73 | 1 | 8 | LYS | H | H | 7.9801 | ||
74 | 1 | 8 | LYS | HA | H | 4.1674 | ||
75 | 1 | 8 | LYS | HB2 | H | 1.8779 | ||
76 | 1 | 8 | LYS | HB3 | H | 2.0237 | ||
77 | 1 | 8 | LYS | HG2 | H | 1.5388 | ||
78 | 1 | 8 | LYS | HG3 | H | 1.5388 | ||
79 | 1 | 8 | LYS | HD2 | H | 1.6775 | ||
80 | 1 | 8 | LYS | HD3 | H | 1.6775 | ||
81 | 1 | 8 | LYS | HE2 | H | 2.9564 | ||
82 | 1 | 8 | LYS | HE3 | H | 2.9564 | ||
83 | 1 | 8 | LYS | CA | C | 59.4663 | ||
84 | 1 | 8 | LYS | CB | C | 32.6569 | ||
85 | 1 | 8 | LYS | CG | C | 25.2708 | ||
86 | 1 | 8 | LYS | CD | C | 29.4423 | ||
87 | 1 | 8 | LYS | CE | C | 42.0976 | ||
88 | 1 | 9 | VAL | H | H | 8.3672 | ||
89 | 1 | 9 | VAL | HA | H | 3.6405 | ||
90 | 1 | 9 | VAL | HB | H | 2.1655 | ||
91 | 1 | 9 | VAL | HG11 | H | 0.8912 | ||
92 | 1 | 9 | VAL | HG12 | H | 0.8912 | ||
93 | 1 | 9 | VAL | HG13 | H | 0.8912 | ||
94 | 1 | 9 | VAL | HG21 | H | 1.0293 | ||
95 | 1 | 9 | VAL | HG22 | H | 1.0293 | ||
96 | 1 | 9 | VAL | HG23 | H | 1.0293 | ||
97 | 1 | 9 | VAL | CA | C | 66.6491 | ||
98 | 1 | 9 | VAL | CB | C | 31.3977 | ||
99 | 1 | 9 | VAL | CG1 | C | 22.3033 | ||
100 | 1 | 9 | VAL | CG2 | C | 23.2126 | ||
101 | 1 | 10 | SER | H | H | 8.3690 | ||
102 | 1 | 10 | SER | HA | H | 4.1418 | ||
103 | 1 | 10 | SER | HB2 | H | 4.0217 | ||
104 | 1 | 10 | SER | HB3 | H | 4.0198 | ||
105 | 1 | 10 | SER | CA | C | 62.2434 | ||
106 | 1 | 10 | SER | CB | C | 62.8462 | ||
107 | 1 | 11 | ASN | H | H | 8.1483 | ||
108 | 1 | 11 | ASN | HA | H | 4.5018 | ||
109 | 1 | 11 | ASN | HB2 | H | 2.9769 | ||
110 | 1 | 11 | ASN | HB3 | H | 2.8105 | ||
111 | 1 | 11 | ASN | HD21 | H | 7.7036 | ||
112 | 1 | 11 | ASN | HD22 | H | 6.9228 | ||
113 | 1 | 11 | ASN | CA | C | 56.2186 | ||
114 | 1 | 11 | ASN | CB | C | 38.2465 | ||
115 | 1 | 12 | LEU | H | H | 8.0468 | ||
116 | 1 | 12 | LEU | HA | H | 3.8469 | ||
117 | 1 | 12 | LEU | HB2 | H | 1.7211 | ||
118 | 1 | 12 | LEU | HB3 | H | 1.7211 | ||
119 | 1 | 12 | LEU | HG | H | 1.5320 | ||
120 | 1 | 12 | LEU | HD11 | H | 0.8784 | ||
121 | 1 | 12 | LEU | HD12 | H | 0.8784 | ||
122 | 1 | 12 | LEU | HD13 | H | 0.8784 | ||
123 | 1 | 12 | LEU | HD21 | H | 0.8784 | ||
124 | 1 | 12 | LEU | HD22 | H | 0.8784 | ||
125 | 1 | 12 | LEU | HD23 | H | 0.8784 | ||
126 | 1 | 12 | LEU | CA | C | 59.9097 | ||
127 | 1 | 12 | LEU | CB | C | 41.0994 | ||
128 | 1 | 12 | LEU | CG | C | 29.4598 | ||
129 | 1 | 13 | PHE | H | H | 8.4771 | ||
130 | 1 | 13 | PHE | HA | H | 4.1807 | ||
131 | 1 | 13 | PHE | HB2 | H | 3.2979 | ||
132 | 1 | 13 | PHE | HB3 | H | 3.1870 | ||
133 | 1 | 13 | PHE | HD1 | H | 8.6518 | ||
134 | 1 | 13 | PHE | HD2 | H | 8.6518 | ||
135 | 1 | 13 | PHE | HE1 | H | 8.1724 | ||
136 | 1 | 13 | PHE | HE2 | H | 8.1724 | ||
137 | 1 | 13 | PHE | HZ | H | 8.9479 | ||
138 | 1 | 13 | PHE | CA | C | 60.9202 | ||
139 | 1 | 13 | PHE | CB | C | 38.8903 | ||
140 | 1 | 13 | PHE | CD1 | C | 148.7280 | ||
141 | 1 | 13 | PHE | CE2 | C | 131.2148 | ||
142 | 1 | 13 | PHE | CZ | C | 147.2589 | ||
143 | 1 | 14 | LYS | H | H | 8.0483 | ||
144 | 1 | 14 | LYS | HA | H | 4.1638 | ||
145 | 1 | 14 | LYS | HB2 | H | 1.8712 | ||
146 | 1 | 14 | LYS | HB3 | H | 1.9746 | ||
147 | 1 | 14 | LYS | HG2 | H | 1.5564 | ||
148 | 1 | 14 | LYS | HG3 | H | 1.5564 | ||
149 | 1 | 14 | LYS | HD2 | H | 1.7158 | ||
150 | 1 | 14 | LYS | HD3 | H | 1.7158 | ||
151 | 1 | 14 | LYS | HE2 | H | 2.9468 | ||
152 | 1 | 14 | LYS | HE3 | H | 2.9468 | ||
153 | 1 | 14 | LYS | CA | C | 58.1515 | ||
154 | 1 | 14 | LYS | CB | C | 32.9558 | ||
155 | 1 | 14 | LYS | CG | C | 24.9444 | ||
156 | 1 | 14 | LYS | CD | C | 30.0783 | ||
157 | 1 | 14 | LYS | CE | C | 42.3222 | ||
158 | 1 | 15 | LYS | H | H | 7.8221 | ||
159 | 1 | 15 | LYS | HA | H | 4.0970 | ||
160 | 1 | 15 | LYS | HB2 | H | 2.0054 | ||
161 | 1 | 15 | LYS | HB3 | H | 1.8856 | ||
162 | 1 | 15 | LYS | HG2 | H | 1.5582 | ||
163 | 1 | 15 | LYS | HG3 | H | 1.5582 | ||
164 | 1 | 15 | LYS | HD2 | H | 1.6874 | ||
165 | 1 | 15 | LYS | HD3 | H | 1.6874 | ||
166 | 1 | 15 | LYS | HE2 | H | 2.9399 | ||
167 | 1 | 15 | LYS | HE3 | H | 2.9399 | ||
168 | 1 | 15 | LYS | CA | C | 58.8243 | ||
169 | 1 | 15 | LYS | CB | C | 32.2600 | ||
170 | 1 | 15 | LYS | CG | C | 25.3472 | ||
171 | 1 | 15 | LYS | CD | C | 29.1305 | ||
172 | 1 | 15 | LYS | CE | C | 42.0149 | ||
173 | 1 | 16 | ILE | H | H | 8.0581 | ||
174 | 1 | 16 | ILE | HA | H | 3.7634 | ||
175 | 1 | 16 | ILE | HB | H | 1.8858 | ||
176 | 1 | 16 | ILE | HG21 | H | 1.1875 | ||
177 | 1 | 16 | ILE | HG22 | H | 1.1875 | ||
178 | 1 | 16 | ILE | HG23 | H | 1.1875 | ||
179 | 1 | 16 | ILE | HD11 | H | 0.8803 | ||
180 | 1 | 16 | ILE | HD12 | H | 0.8803 | ||
181 | 1 | 16 | ILE | HD13 | H | 0.8803 | ||
182 | 1 | 16 | ILE | CA | C | 64.0169 | ||
183 | 1 | 16 | ILE | CB | C | 38.0430 | ||
184 | 1 | 16 | ILE | CD1 | C | 17.7327 | ||
185 | 1 | 17 | LYS | H | H | 8.0470 | ||
186 | 1 | 17 | LYS | HA | H | 3.9377 | ||
187 | 1 | 17 | LYS | HB2 | H | 1.9013 | ||
188 | 1 | 17 | LYS | HB3 | H | 2.0227 | ||
189 | 1 | 17 | LYS | HG2 | H | 1.5352 | ||
190 | 1 | 17 | LYS | HG3 | H | 1.5352 | ||
191 | 1 | 17 | LYS | HD2 | H | 1.7046 | ||
192 | 1 | 17 | LYS | HD3 | H | 1.7046 | ||
193 | 1 | 17 | LYS | HE2 | H | 2.8488 | ||
194 | 1 | 17 | LYS | HE3 | H | 2.8488 | ||
195 | 1 | 17 | LYS | CA | C | 58.1039 | ||
196 | 1 | 17 | LYS | CB | C | 32.4119 | ||
197 | 1 | 17 | LYS | CG | C | 25.6953 | ||
198 | 1 | 17 | LYS | CD | C | 29.7991 | ||
199 | 1 | 17 | LYS | CE | C | 41.5388 | ||
200 | 1 | 18 | GLY | H | H | 7.8157 | ||
201 | 1 | 18 | GLY | HA2 | H | 3.9145 | ||
202 | 1 | 18 | GLY | HA3 | H | 3.9145 | ||
203 | 1 | 18 | GLY | CA | C | 45.7864 | ||
204 | 1 | 19 | GLU | H | H | 7.9457 | ||
205 | 1 | 19 | GLU | HA | H | 4.2840 | ||
206 | 1 | 19 | GLU | HB2 | H | 2.0989 | ||
207 | 1 | 19 | GLU | HB3 | H | 2.0291 | ||
208 | 1 | 19 | GLU | HG2 | H | 2.4357 | ||
209 | 1 | 19 | GLU | HG3 | H | 2.4357 | ||
210 | 1 | 19 | GLU | CA | C | 56.4798 | ||
211 | 1 | 19 | GLU | CB | C | 29.2321 | ||
212 | 1 | 19 | GLU | CG | C | 33.8303 | ||
213 | 1 | 20 | LYS | H | H | 8.1485 | ||
214 | 1 | 20 | LYS | HA | H | 4.2294 | ||
215 | 1 | 20 | LYS | HB2 | H | 1.8549 | ||
216 | 1 | 20 | LYS | HB3 | H | 1.7613 | ||
217 | 1 | 20 | LYS | HG2 | H | 1.4576 | ||
218 | 1 | 20 | LYS | HG3 | H | 1.4576 | ||
219 | 1 | 20 | LYS | HD2 | H | 1.6687 | ||
220 | 1 | 20 | LYS | HD3 | H | 1.6687 | ||
221 | 1 | 20 | LYS | HE2 | H | 2.9544 | ||
222 | 1 | 20 | LYS | HE3 | H | 2.9544 | ||
223 | 1 | 20 | LYS | CA | C | 56.2158 | ||
224 | 1 | 20 | LYS | CB | C | 33.0703 | ||
225 | 1 | 20 | LYS | CG | C | 25.7766 | ||
226 | 1 | 20 | LYS | CD | C | 28.5791 | ||
227 | 1 | 20 | LYS | CE | C | 42.4781 | ||
228 | 1 | 21 | NH2 | HN1 | H | 7.1151 | ||
229 | 1 | 21 | NH2 | HN2 | H | 7.4550 |