NMR shows why a small chemical change almost abolishes the antimicrobial activity of GccF
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | disulfide | sing | 1:CYS5:SG | 1:CYS28:SG |
2 | disulfide | sing | 1:CYS12:SG | 1:CYS21:SG |
3 | covalent | sing | 1:EW618:OG | 2:NAG1:C1 |
4 | covalent | sing | 1:CYS43:SG | 2:NAG1:C1 |
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 1 | LYS | HG2 | H | 1.334 | 0.020 | 1 |
2 | 1 | 1 | LYS | HG3 | H | 1.334 | 0.020 | 1 |
3 | 1 | 1 | LYS | HE3 | H | 2.830 | 0.020 | 1 |
4 | 1 | 1 | LYS | CA | C | 51.650 | 0.3 | 1 |
5 | 1 | 1 | LYS | CB | C | 29.270 | 0.3 | 1 |
6 | 1 | 1 | LYS | CG | C | 21.018 | 0.3 | 1 |
7 | 1 | 1 | LYS | CD | C | 26.130 | 0.3 | 1 |
8 | 1 | 1 | LYS | CE | C | 39.360 | 0.3 | 1 |
9 | 1 | 2 | PRO | HA | H | 4.248 | 0.020 | 1 |
10 | 1 | 2 | PRO | HB2 | H | 1.975 | 0.020 | 2 |
11 | 1 | 2 | PRO | HB3 | H | 1.302 | 0.020 | 2 |
12 | 1 | 2 | PRO | HG2 | H | 1.791 | 0.020 | 2 |
13 | 1 | 2 | PRO | HG3 | H | 1.715 | 0.020 | 2 |
14 | 1 | 2 | PRO | HD2 | H | 3.584 | 0.020 | 2 |
15 | 1 | 2 | PRO | HD3 | H | 3.337 | 0.020 | 2 |
16 | 1 | 2 | PRO | CA | C | 60.293 | 0.3 | 1 |
17 | 1 | 2 | PRO | CB | C | 29.142 | 0.3 | 1 |
18 | 1 | 2 | PRO | CG | C | 24.830 | 0.3 | 1 |
19 | 1 | 2 | PRO | CD | C | 47.733 | 0.3 | 1 |
20 | 1 | 3 | ALA | H | H | 8.212 | 0.020 | 1 |
21 | 1 | 3 | ALA | HA | H | 4.204 | 0.020 | 1 |
22 | 1 | 3 | ALA | HB1 | H | 1.380 | 0.020 | 1 |
23 | 1 | 3 | ALA | HB2 | H | 1.380 | 0.020 | 1 |
24 | 1 | 3 | ALA | HB3 | H | 1.380 | 0.020 | 1 |
25 | 1 | 3 | ALA | CA | C | 50.797 | 0.3 | 1 |
26 | 1 | 3 | ALA | CB | C | 16.016 | 0.3 | 1 |
27 | 1 | 3 | ALA | N | N | 124.546 | 0.3 | 1 |
28 | 1 | 4 | TRP | H | H | 7.611 | 0.020 | 1 |
29 | 1 | 4 | TRP | HA | H | 4.430 | 0.020 | 1 |
30 | 1 | 4 | TRP | HB2 | H | 3.281 | 0.020 | 2 |
31 | 1 | 4 | TRP | HB3 | H | 3.180 | 0.020 | 2 |
32 | 1 | 4 | TRP | HD1 | H | 7.217 | 0.020 | 1 |
33 | 1 | 4 | TRP | HE1 | H | 10.006 | 0.020 | 1 |
34 | 1 | 4 | TRP | HE3 | H | 7.407 | 0.020 | 1 |
35 | 1 | 4 | TRP | HZ2 | H | 7.337 | 0.020 | 1 |
36 | 1 | 4 | TRP | HZ3 | H | 6.940 | 0.020 | 1 |
37 | 1 | 4 | TRP | HH2 | H | 7.014 | 0.020 | 1 |
38 | 1 | 4 | TRP | CA | C | 56.284 | 0.3 | 1 |
39 | 1 | 4 | TRP | CB | C | 26.298 | 0.3 | 1 |
40 | 1 | 4 | TRP | CD1 | C | 124.714 | 0.3 | 1 |
41 | 1 | 4 | TRP | CE3 | C | 118.022 | 0.3 | 1 |
42 | 1 | 4 | TRP | CZ2 | C | 111.812 | 0.3 | 1 |
43 | 1 | 4 | TRP | CZ3 | C | 119.083 | 0.3 | 1 |
44 | 1 | 4 | TRP | CH2 | C | 121.566 | 0.3 | 1 |
45 | 1 | 4 | TRP | N | N | 116.287 | 0.3 | 1 |
46 | 1 | 4 | TRP | NE1 | N | 129.680 | 0.3 | 1 |
47 | 1 | 5 | CYS | H | H | 7.935 | 0.020 | 1 |
48 | 1 | 5 | CYS | HA | H | 4.232 | 0.020 | 1 |
49 | 1 | 5 | CYS | HB2 | H | 2.675 | 0.020 | 2 |
50 | 1 | 5 | CYS | HB3 | H | 2.459 | 0.020 | 2 |
51 | 1 | 5 | CYS | CA | C | 55.191 | 0.3 | 1 |
52 | 1 | 5 | CYS | CB | C | 36.503 | 0.3 | 1 |
53 | 1 | 5 | CYS | N | N | 117.636 | 0.3 | 1 |
54 | 1 | 6 | TRP | H | H | 7.536 | 0.020 | 1 |
55 | 1 | 6 | TRP | HA | H | 4.385 | 0.020 | 1 |
56 | 1 | 6 | TRP | HB2 | H | 3.229 | 0.020 | 2 |
57 | 1 | 6 | TRP | HB3 | H | 3.126 | 0.020 | 2 |
58 | 1 | 6 | TRP | HD1 | H | 7.034 | 0.020 | 1 |
59 | 1 | 6 | TRP | HE1 | H | 9.867 | 0.020 | 1 |
60 | 1 | 6 | TRP | HE3 | H | 7.399 | 0.020 | 1 |
61 | 1 | 6 | TRP | HZ2 | H | 7.372 | 0.020 | 1 |
62 | 1 | 6 | TRP | HZ3 | H | 6.961 | 0.020 | 1 |
63 | 1 | 6 | TRP | HH2 | H | 7.115 | 0.020 | 1 |
64 | 1 | 6 | TRP | CA | C | 57.014 | 0.3 | 1 |
65 | 1 | 6 | TRP | CB | C | 26.653 | 0.3 | 1 |
66 | 1 | 6 | TRP | CD1 | C | 124.354 | 0.3 | 1 |
67 | 1 | 6 | TRP | CE3 | C | 118.011 | 0.3 | 1 |
68 | 1 | 6 | TRP | CZ2 | C | 111.730 | 0.3 | 1 |
69 | 1 | 6 | TRP | CZ3 | C | 119.190 | 0.3 | 1 |
70 | 1 | 6 | TRP | CH2 | C | 121.675 | 0.3 | 1 |
71 | 1 | 6 | TRP | N | N | 120.114 | 0.3 | 1 |
72 | 1 | 6 | TRP | NE1 | N | 128.354 | 0.3 | 1 |
73 | 1 | 7 | TYR | H | H | 7.732 | 0.020 | 1 |
74 | 1 | 7 | TYR | HA | H | 4.267 | 0.020 | 1 |
75 | 1 | 7 | TYR | HB2 | H | 3.042 | 0.020 | 2 |
76 | 1 | 7 | TYR | HB3 | H | 2.916 | 0.020 | 2 |
77 | 1 | 7 | TYR | HD1 | H | 7.075 | 0.020 | 3 |
78 | 1 | 7 | TYR | HD2 | H | 7.025 | 0.020 | 3 |
79 | 1 | 7 | TYR | HE1 | H | 6.742 | 0.020 | 1 |
80 | 1 | 7 | TYR | CA | C | 57.576 | 0.3 | 1 |
81 | 1 | 7 | TYR | CB | C | 35.917 | 0.3 | 1 |
82 | 1 | 7 | TYR | CD1 | C | 130.292 | 0.3 | 1 |
83 | 1 | 7 | TYR | CE1 | C | 115.478 | 0.3 | 1 |
84 | 1 | 7 | TYR | N | N | 117.656 | 0.3 | 1 |
85 | 1 | 8 | THR | H | H | 7.825 | 0.020 | 1 |
86 | 1 | 8 | THR | HA | H | 3.826 | 0.020 | 1 |
87 | 1 | 8 | THR | HB | H | 4.085 | 0.020 | 1 |
88 | 1 | 8 | THR | HG21 | H | 1.116 | 0.020 | 1 |
89 | 1 | 8 | THR | HG22 | H | 1.116 | 0.020 | 1 |
90 | 1 | 8 | THR | HG23 | H | 1.116 | 0.020 | 1 |
91 | 1 | 8 | THR | CA | C | 63.259 | 0.3 | 1 |
92 | 1 | 8 | THR | CB | C | 66.034 | 0.3 | 1 |
93 | 1 | 8 | THR | CG2 | C | 19.581 | 0.3 | 1 |
94 | 1 | 8 | THR | N | N | 113.774 | 0.3 | 1 |
95 | 1 | 9 | LEU | H | H | 7.740 | 0.020 | 1 |
96 | 1 | 9 | LEU | HA | H | 3.949 | 0.020 | 1 |
97 | 1 | 9 | LEU | HB2 | H | 1.698 | 0.020 | 2 |
98 | 1 | 9 | LEU | HB3 | H | 1.645 | 0.020 | 2 |
99 | 1 | 9 | LEU | HG | H | 1.592 | 0.020 | 1 |
100 | 1 | 9 | LEU | HD11 | H | 0.791 | 0.020 | 1 |
101 | 1 | 9 | LEU | HD12 | H | 0.791 | 0.020 | 1 |
102 | 1 | 9 | LEU | HD13 | H | 0.791 | 0.020 | 1 |
103 | 1 | 9 | LEU | HD21 | H | 0.767 | 0.020 | 1 |
104 | 1 | 9 | LEU | HD22 | H | 0.767 | 0.020 | 1 |
105 | 1 | 9 | LEU | HD23 | H | 0.767 | 0.020 | 1 |
106 | 1 | 9 | LEU | CA | C | 55.527 | 0.3 | 1 |
107 | 1 | 9 | LEU | CB | C | 38.780 | 0.3 | 1 |
108 | 1 | 9 | LEU | CG | C | 24.375 | 0.3 | 1 |
109 | 1 | 9 | LEU | CD1 | C | 21.782 | 0.3 | 1 |
110 | 1 | 9 | LEU | N | N | 121.689 | 0.3 | 1 |
111 | 1 | 10 | ALA | H | H | 7.595 | 0.020 | 1 |
112 | 1 | 10 | ALA | HA | H | 4.013 | 0.020 | 1 |
113 | 1 | 10 | ALA | HB1 | H | 1.300 | 0.020 | 1 |
114 | 1 | 10 | ALA | HB2 | H | 1.300 | 0.020 | 1 |
115 | 1 | 10 | ALA | HB3 | H | 1.300 | 0.020 | 1 |
116 | 1 | 10 | ALA | CA | C | 51.832 | 0.3 | 1 |
117 | 1 | 10 | ALA | CB | C | 15.590 | 0.3 | 1 |
118 | 1 | 10 | ALA | N | N | 120.318 | 0.3 | 1 |
119 | 1 | 11 | MET | H | H | 7.785 | 0.020 | 1 |
120 | 1 | 11 | MET | HA | H | 4.247 | 0.020 | 1 |
121 | 1 | 11 | MET | HB2 | H | 1.958 | 0.020 | 2 |
122 | 1 | 11 | MET | HB3 | H | 1.910 | 0.020 | 2 |
123 | 1 | 11 | MET | HG2 | H | 2.440 | 0.020 | 2 |
124 | 1 | 11 | MET | HG3 | H | 2.335 | 0.020 | 2 |
125 | 1 | 11 | MET | HE1 | H | 1.971 | 0.020 | 1 |
126 | 1 | 11 | MET | HE2 | H | 1.971 | 0.020 | 1 |
127 | 1 | 11 | MET | HE3 | H | 1.971 | 0.020 | 1 |
128 | 1 | 11 | MET | CA | C | 54.307 | 0.3 | 1 |
129 | 1 | 11 | MET | CB | C | 30.148 | 0.3 | 1 |
130 | 1 | 11 | MET | CG | C | 29.563 | 0.3 | 1 |
131 | 1 | 11 | MET | CE | C | 0.507 | 0.3 | 1 |
132 | 1 | 11 | MET | N | N | 114.918 | 0.3 | 1 |
133 | 1 | 12 | CYS | H | H | 8.137 | 0.020 | 1 |
134 | 1 | 12 | CYS | HA | H | 4.536 | 0.020 | 1 |
135 | 1 | 12 | CYS | HB2 | H | 3.094 | 0.020 | 2 |
136 | 1 | 12 | CYS | HB3 | H | 2.974 | 0.020 | 2 |
137 | 1 | 12 | CYS | CA | C | 55.531 | 0.3 | 1 |
138 | 1 | 12 | CYS | CB | C | 38.231 | 0.3 | 1 |
139 | 1 | 12 | CYS | N | N | 117.249 | 0.3 | 1 |
140 | 1 | 13 | GLY | H | H | 8.091 | 0.020 | 1 |
141 | 1 | 13 | GLY | HA2 | H | 3.877 | 0.020 | 2 |
142 | 1 | 13 | GLY | HA3 | H | 3.816 | 0.020 | 2 |
143 | 1 | 13 | GLY | CA | C | 43.443 | 0.3 | 1 |
144 | 1 | 13 | GLY | N | N | 108.555 | 0.3 | 1 |
145 | 1 | 14 | ALA | H | H | 7.632 | 0.020 | 1 |
146 | 1 | 14 | ALA | HA | H | 4.308 | 0.020 | 1 |
147 | 1 | 14 | ALA | HB1 | H | 1.357 | 0.020 | 1 |
148 | 1 | 14 | ALA | HB2 | H | 1.357 | 0.020 | 1 |
149 | 1 | 14 | ALA | HB3 | H | 1.357 | 0.020 | 1 |
150 | 1 | 14 | ALA | CA | C | 49.554 | 0.3 | 1 |
151 | 1 | 14 | ALA | CB | C | 16.417 | 0.3 | 1 |
152 | 1 | 14 | ALA | N | N | 121.244 | 0.3 | 1 |
153 | 1 | 15 | GLY | H | H | 7.704 | 0.020 | 1 |
154 | 1 | 15 | GLY | HA2 | H | 3.931 | 0.020 | 2 |
155 | 1 | 15 | GLY | HA3 | H | 3.681 | 0.020 | 2 |
156 | 1 | 15 | GLY | CA | C | 42.837 | 0.3 | 1 |
157 | 1 | 15 | GLY | N | N | 104.796 | 0.3 | 1 |
158 | 1 | 16 | TYR | H | H | 7.574 | 0.020 | 1 |
159 | 1 | 16 | TYR | HA | H | 4.454 | 0.020 | 1 |
160 | 1 | 16 | TYR | HB2 | H | 2.949 | 0.020 | 2 |
161 | 1 | 16 | TYR | HB3 | H | 2.856 | 0.020 | 2 |
162 | 1 | 16 | TYR | HD1 | H | 6.998 | 0.020 | 1 |
163 | 1 | 16 | TYR | HE1 | H | 6.714 | 0.020 | 1 |
164 | 1 | 16 | TYR | CA | C | 55.264 | 0.3 | 1 |
165 | 1 | 16 | TYR | CB | C | 36.133 | 0.3 | 1 |
166 | 1 | 16 | TYR | CD1 | C | 130.428 | 0.3 | 1 |
167 | 1 | 16 | TYR | CE1 | C | 115.445 | 0.3 | 1 |
168 | 1 | 16 | TYR | N | N | 118.288 | 0.3 | 1 |
169 | 1 | 17 | ASP | H | H | 8.119 | 0.020 | 1 |
170 | 1 | 17 | ASP | HA | H | 4.496 | 0.020 | 1 |
171 | 1 | 17 | ASP | HB2 | H | 2.945 | 0.020 | 2 |
172 | 1 | 17 | ASP | HB3 | H | 2.671 | 0.020 | 2 |
173 | 1 | 17 | ASP | CA | C | 50.518 | 0.3 | 1 |
174 | 1 | 17 | ASP | CB | C | 34.872 | 0.3 | 1 |
175 | 1 | 17 | ASP | N | N | 117.908 | 0.3 | 1 |
176 | 1 | 18 | EW6 | H | H | 8.106 | 0.020 | 1 |
177 | 1 | 18 | EW6 | N | N | 127.060 | 0.3 | 1 |
178 | 1 | 18 | EW6 | CA | C | 55.567 | 0.3 | 1 |
179 | 1 | 18 | EW6 | CB | C | 71.140 | 0.3 | 1 |
180 | 1 | 18 | EW6 | HB2 | H | 3.913 | 0.020 | 2 |
181 | 1 | 18 | EW6 | HB3 | H | 3.626 | 0.020 | 2 |
182 | 1 | 19 | GLY | H | H | 8.044 | 0.020 | 1 |
183 | 1 | 19 | GLY | HA2 | H | 3.901 | 0.020 | 2 |
184 | 1 | 19 | GLY | HA3 | H | 3.775 | 0.020 | 2 |
185 | 1 | 19 | GLY | CA | C | 44.695 | 0.3 | 1 |
186 | 1 | 19 | GLY | N | N | 107.214 | 0.3 | 1 |
187 | 1 | 20 | THR | H | H | 7.862 | 0.020 | 1 |
188 | 1 | 20 | THR | HA | H | 4.081 | 0.020 | 1 |
189 | 1 | 20 | THR | HB | H | 4.097 | 0.020 | 1 |
190 | 1 | 20 | THR | HG21 | H | 1.183 | 0.020 | 1 |
191 | 1 | 20 | THR | HG22 | H | 1.183 | 0.020 | 1 |
192 | 1 | 20 | THR | HG23 | H | 1.183 | 0.020 | 1 |
193 | 1 | 20 | THR | CA | C | 62.859 | 0.3 | 1 |
194 | 1 | 20 | THR | CB | C | 66.086 | 0.3 | 1 |
195 | 1 | 20 | THR | CG2 | C | 19.693 | 0.3 | 1 |
196 | 1 | 20 | THR | N | N | 117.032 | 0.3 | 1 |
197 | 1 | 21 | CYS | H | H | 8.046 | 0.020 | 1 |
198 | 1 | 21 | CYS | HA | H | 4.248 | 0.020 | 1 |
199 | 1 | 21 | CYS | HB2 | H | 3.113 | 0.020 | 2 |
200 | 1 | 21 | CYS | HB3 | H | 2.962 | 0.020 | 2 |
201 | 1 | 21 | CYS | CA | C | 56.965 | 0.3 | 1 |
202 | 1 | 21 | CYS | CB | C | 38.055 | 0.3 | 1 |
203 | 1 | 21 | CYS | N | N | 119.678 | 0.3 | 1 |
204 | 1 | 22 | ASP | H | H | 8.566 | 0.020 | 1 |
205 | 1 | 22 | ASP | HA | H | 4.464 | 0.020 | 1 |
206 | 1 | 22 | ASP | HB2 | H | 2.973 | 0.020 | 2 |
207 | 1 | 22 | ASP | HB3 | H | 2.862 | 0.020 | 2 |
208 | 1 | 22 | ASP | CA | C | 53.920 | 0.3 | 1 |
209 | 1 | 22 | ASP | CB | C | 34.891 | 0.3 | 1 |
210 | 1 | 22 | ASP | N | N | 118.937 | 0.3 | 1 |
211 | 1 | 23 | TYR | H | H | 8.098 | 0.020 | 1 |
212 | 1 | 23 | TYR | HA | H | 4.185 | 0.020 | 1 |
213 | 1 | 23 | TYR | HB2 | H | 3.174 | 0.020 | 2 |
214 | 1 | 23 | TYR | HB3 | H | 3.107 | 0.020 | 2 |
215 | 1 | 23 | TYR | HD1 | H | 6.985 | 0.020 | 3 |
216 | 1 | 23 | TYR | HD2 | H | 6.963 | 0.020 | 3 |
217 | 1 | 23 | TYR | HE1 | H | 6.570 | 0.020 | 1 |
218 | 1 | 23 | TYR | CA | C | 59.002 | 0.3 | 1 |
219 | 1 | 23 | TYR | CB | C | 35.688 | 0.3 | 1 |
220 | 1 | 23 | TYR | CD1 | C | 130.310 | 0.3 | 1 |
221 | 1 | 23 | TYR | CE1 | C | 115.315 | 0.3 | 1 |
222 | 1 | 23 | TYR | N | N | 121.690 | 0.3 | 1 |
223 | 1 | 24 | MET | H | H | 8.392 | 0.020 | 1 |
224 | 1 | 24 | MET | HA | H | 4.112 | 0.020 | 1 |
225 | 1 | 24 | MET | HB2 | H | 2.247 | 0.020 | 2 |
226 | 1 | 24 | MET | HB3 | H | 2.178 | 0.020 | 2 |
227 | 1 | 24 | MET | HG2 | H | 2.677 | 0.020 | 2 |
228 | 1 | 24 | MET | HG3 | H | 2.549 | 0.020 | 2 |
229 | 1 | 24 | MET | HE1 | H | 1.816 | 0.020 | 1 |
230 | 1 | 24 | MET | HE2 | H | 1.816 | 0.020 | 1 |
231 | 1 | 24 | MET | HE3 | H | 1.816 | 0.020 | 1 |
232 | 1 | 24 | MET | CA | C | 56.336 | 0.3 | 1 |
233 | 1 | 24 | MET | CB | C | 29.014 | 0.3 | 1 |
234 | 1 | 24 | MET | CG | C | 29.491 | 0.3 | 1 |
235 | 1 | 24 | MET | CE | C | 14.459 | 0.3 | 1 |
236 | 1 | 24 | MET | N | N | 120.159 | 0.3 | 1 |
237 | 1 | 25 | TYR | H | H | 8.871 | 0.020 | 1 |
238 | 1 | 25 | TYR | HA | H | 4.152 | 0.020 | 1 |
239 | 1 | 25 | TYR | HB2 | H | 3.109 | 0.020 | 2 |
240 | 1 | 25 | TYR | HB3 | H | 3.048 | 0.020 | 2 |
241 | 1 | 25 | TYR | HD1 | H | 6.974 | 0.020 | 3 |
242 | 1 | 25 | TYR | HD2 | H | 6.966 | 0.020 | 3 |
243 | 1 | 25 | TYR | HE1 | H | 6.496 | 0.020 | 1 |
244 | 1 | 25 | TYR | CA | C | 59.497 | 0.3 | 1 |
245 | 1 | 25 | TYR | CB | C | 35.622 | 0.3 | 1 |
246 | 1 | 25 | TYR | CD1 | C | 130.426 | 0.3 | 1 |
247 | 1 | 25 | TYR | CE1 | C | 115.170 | 0.3 | 1 |
248 | 1 | 25 | TYR | N | N | 119.978 | 0.3 | 1 |
249 | 1 | 26 | SER | H | H | 7.981 | 0.020 | 1 |
250 | 1 | 26 | SER | HA | H | 4.120 | 0.020 | 1 |
251 | 1 | 26 | SER | HB2 | H | 3.801 | 0.020 | 1 |
252 | 1 | 26 | SER | HB3 | H | 3.801 | 0.020 | 1 |
253 | 1 | 26 | SER | CA | C | 58.249 | 0.3 | 1 |
254 | 1 | 26 | SER | CB | C | 60.635 | 0.3 | 1 |
255 | 1 | 26 | SER | N | N | 112.443 | 0.3 | 1 |
256 | 1 | 27 | HIS | H | H | 7.832 | 0.020 | 1 |
257 | 1 | 27 | HIS | HA | H | 4.277 | 0.020 | 1 |
258 | 1 | 27 | HIS | HB2 | H | 3.080 | 0.020 | 2 |
259 | 1 | 27 | HIS | HB3 | H | 2.706 | 0.020 | 2 |
260 | 1 | 27 | HIS | HD2 | H | 6.962 | 0.020 | 1 |
261 | 1 | 27 | HIS | HE1 | H | 8.194 | 0.020 | 1 |
262 | 1 | 27 | HIS | CA | C | 55.604 | 0.3 | 1 |
263 | 1 | 27 | HIS | CB | C | 25.678 | 0.3 | 1 |
264 | 1 | 27 | HIS | CD2 | C | 116.965 | 0.3 | 1 |
265 | 1 | 27 | HIS | CE1 | C | 133.511 | 0.3 | 1 |
266 | 1 | 27 | HIS | N | N | 116.390 | 0.3 | 1 |
267 | 1 | 28 | CYS | H | H | 8.104 | 0.020 | 1 |
268 | 1 | 28 | CYS | HA | H | 4.269 | 0.020 | 1 |
269 | 1 | 28 | CYS | HB2 | H | 2.749 | 0.020 | 2 |
270 | 1 | 28 | CYS | HB3 | H | 1.947 | 0.020 | 2 |
271 | 1 | 28 | CYS | CA | C | 55.370 | 0.3 | 1 |
272 | 1 | 28 | CYS | CB | C | 39.569 | 0.3 | 1 |
273 | 1 | 28 | CYS | N | N | 115.707 | 0.3 | 1 |
274 | 1 | 29 | PHE | H | H | 7.652 | 0.020 | 1 |
275 | 1 | 29 | PHE | HA | H | 4.598 | 0.020 | 1 |
276 | 1 | 29 | PHE | HB2 | H | 3.145 | 0.020 | 2 |
277 | 1 | 29 | PHE | HB3 | H | 2.559 | 0.020 | 2 |
278 | 1 | 29 | PHE | HD1 | H | 6.999 | 0.020 | 3 |
279 | 1 | 29 | PHE | HD2 | H | 6.986 | 0.020 | 3 |
280 | 1 | 29 | PHE | HE1 | H | 7.034 | 0.020 | 3 |
281 | 1 | 29 | PHE | HE2 | H | 6.997 | 0.020 | 3 |
282 | 1 | 29 | PHE | HZ | H | 6.770 | 0.020 | 1 |
283 | 1 | 29 | PHE | CA | C | 55.052 | 0.3 | 1 |
284 | 1 | 29 | PHE | CB | C | 37.714 | 0.3 | 1 |
285 | 1 | 29 | PHE | CD1 | C | 129.461 | 0.3 | 1 |
286 | 1 | 29 | PHE | CE1 | C | 128.377 | 0.3 | 1 |
287 | 1 | 29 | PHE | CZ | C | 126.635 | 0.3 | 1 |
288 | 1 | 29 | PHE | N | N | 116.028 | 0.3 | 1 |
289 | 1 | 30 | GLY | H | H | 7.627 | 0.020 | 1 |
290 | 1 | 30 | GLY | HA2 | H | 3.862 | 0.020 | 1 |
291 | 1 | 30 | GLY | CA | C | 43.102 | 0.3 | 1 |
292 | 1 | 30 | GLY | N | N | 107.954 | 0.3 | 1 |
293 | 1 | 31 | ILE | H | H | 7.603 | 0.020 | 1 |
294 | 1 | 31 | ILE | HA | H | 4.057 | 0.020 | 1 |
295 | 1 | 31 | ILE | HB | H | 1.704 | 0.020 | 1 |
296 | 1 | 31 | ILE | HG12 | H | 1.360 | 0.020 | 2 |
297 | 1 | 31 | ILE | HG13 | H | 1.044 | 0.020 | 2 |
298 | 1 | 31 | ILE | HG21 | H | 0.733 | 0.020 | 1 |
299 | 1 | 31 | ILE | HG22 | H | 0.733 | 0.020 | 1 |
300 | 1 | 31 | ILE | HG23 | H | 0.733 | 0.020 | 1 |
301 | 1 | 31 | ILE | HD11 | H | 0.754 | 0.020 | 1 |
302 | 1 | 31 | ILE | HD12 | H | 0.754 | 0.020 | 1 |
303 | 1 | 31 | ILE | HD13 | H | 0.754 | 0.020 | 1 |
304 | 1 | 31 | ILE | CA | C | 58.173 | 0.3 | 1 |
305 | 1 | 31 | ILE | CB | C | 36.282 | 0.3 | 1 |
306 | 1 | 31 | ILE | CG1 | C | 24.557 | 0.3 | 1 |
307 | 1 | 31 | ILE | CG2 | C | 14.636 | 0.3 | 1 |
308 | 1 | 31 | ILE | CD1 | C | 10.279 | 0.3 | 1 |
309 | 1 | 31 | ILE | N | N | 118.552 | 0.3 | 1 |
310 | 1 | 32 | LYS | H | H | 7.978 | 0.020 | 1 |
311 | 1 | 32 | LYS | HA | H | 4.196 | 0.020 | 1 |
312 | 1 | 32 | LYS | HB2 | H | 1.615 | 0.020 | 2 |
313 | 1 | 32 | LYS | HB3 | H | 1.567 | 0.020 | 2 |
314 | 1 | 32 | LYS | HG2 | H | 1.275 | 0.020 | 2 |
315 | 1 | 32 | LYS | HG3 | H | 1.236 | 0.020 | 2 |
316 | 1 | 32 | LYS | HD2 | H | 1.523 | 0.020 | 1 |
317 | 1 | 32 | LYS | HD3 | H | 1.523 | 0.020 | 1 |
318 | 1 | 32 | LYS | HE2 | H | 2.835 | 0.020 | 1 |
319 | 1 | 32 | LYS | HE3 | H | 2.835 | 0.020 | 1 |
320 | 1 | 32 | LYS | CA | C | 53.219 | 0.3 | 1 |
321 | 1 | 32 | LYS | CB | C | 30.445 | 0.3 | 1 |
322 | 1 | 32 | LYS | CG | C | 22.087 | 0.3 | 1 |
323 | 1 | 32 | LYS | CD | C | 26.244 | 0.3 | 1 |
324 | 1 | 32 | LYS | CE | C | 39.397 | 0.3 | 1 |
325 | 1 | 32 | LYS | N | N | 124.045 | 0.3 | 1 |
326 | 1 | 33 | HIS | H | H | 8.129 | 0.020 | 1 |
327 | 1 | 33 | HIS | HA | H | 4.537 | 0.020 | 1 |
328 | 1 | 33 | HIS | HB2 | H | 3.085 | 0.020 | 2 |
329 | 1 | 33 | HIS | HB3 | H | 2.976 | 0.020 | 2 |
330 | 1 | 33 | HIS | HD2 | H | 7.151 | 0.020 | 1 |
331 | 1 | 33 | HIS | HE1 | H | 8.454 | 0.020 | 1 |
332 | 1 | 33 | HIS | CA | C | 52.379 | 0.3 | 1 |
333 | 1 | 33 | HIS | CB | C | 26.588 | 0.3 | 1 |
334 | 1 | 33 | HIS | CD2 | C | 117.453 | 0.3 | 1 |
335 | 1 | 33 | HIS | CE1 | C | 133.744 | 0.3 | 1 |
336 | 1 | 33 | HIS | N | N | 118.613 | 0.3 | 1 |
337 | 1 | 34 | HIS | H | H | 8.259 | 0.020 | 1 |
338 | 1 | 34 | HIS | HA | H | 4.610 | 0.020 | 1 |
339 | 1 | 34 | HIS | HB2 | H | 3.129 | 0.020 | 2 |
340 | 1 | 34 | HIS | HB3 | H | 3.034 | 0.020 | 2 |
341 | 1 | 34 | HIS | HD2 | H | 7.195 | 0.020 | 1 |
342 | 1 | 34 | HIS | HE1 | H | 8.491 | 0.020 | 1 |
343 | 1 | 34 | HIS | CA | C | 52.461 | 0.3 | 1 |
344 | 1 | 34 | HIS | CB | C | 26.653 | 0.3 | 1 |
345 | 1 | 34 | HIS | CD2 | C | 117.630 | 0.3 | 1 |
346 | 1 | 34 | HIS | CE1 | C | 133.783 | 0.3 | 1 |
347 | 1 | 34 | HIS | N | N | 119.756 | 0.3 | 1 |
348 | 1 | 35 | SER | H | H | 8.191 | 0.020 | 1 |
349 | 1 | 35 | SER | HA | H | 4.405 | 0.020 | 1 |
350 | 1 | 35 | SER | HB2 | H | 3.797 | 0.020 | 2 |
351 | 1 | 35 | SER | HB3 | H | 3.746 | 0.020 | 2 |
352 | 1 | 35 | SER | CA | C | 55.413 | 0.3 | 1 |
353 | 1 | 35 | SER | CB | C | 61.326 | 0.3 | 1 |
354 | 1 | 35 | SER | N | N | 117.374 | 0.3 | 1 |
355 | 1 | 36 | SER | H | H | 8.214 | 0.020 | 1 |
356 | 1 | 36 | SER | HA | H | 4.410 | 0.020 | 1 |
357 | 1 | 36 | SER | HB2 | H | 3.817 | 0.020 | 2 |
358 | 1 | 36 | SER | HB3 | H | 3.784 | 0.020 | 2 |
359 | 1 | 36 | SER | CA | C | 55.682 | 0.3 | 1 |
360 | 1 | 36 | SER | CB | C | 61.326 | 0.3 | 1 |
361 | 1 | 36 | SER | N | N | 117.344 | 0.3 | 1 |
362 | 1 | 37 | GLY | H | H | 8.187 | 0.020 | 1 |
363 | 1 | 37 | GLY | HA2 | H | 3.930 | 0.020 | 2 |
364 | 1 | 37 | GLY | HA3 | H | 3.918 | 0.020 | 2 |
365 | 1 | 37 | GLY | CA | C | 42.622 | 0.3 | 1 |
366 | 1 | 37 | GLY | N | N | 109.822 | 0.3 | 1 |
367 | 1 | 38 | SER | H | H | 7.991 | 0.020 | 1 |
368 | 1 | 38 | SER | HA | H | 4.407 | 0.020 | 1 |
369 | 1 | 38 | SER | HB2 | H | 3.802 | 0.020 | 2 |
370 | 1 | 38 | SER | HB3 | H | 3.737 | 0.020 | 2 |
371 | 1 | 38 | SER | CA | C | 55.595 | 0.3 | 1 |
372 | 1 | 38 | SER | CB | C | 61.326 | 0.3 | 1 |
373 | 1 | 38 | SER | N | N | 114.874 | 0.3 | 1 |
374 | 1 | 39 | SER | H | H | 8.097 | 0.020 | 1 |
375 | 1 | 39 | SER | HA | H | 4.399 | 0.020 | 1 |
376 | 1 | 39 | SER | HB2 | H | 3.809 | 0.020 | 2 |
377 | 1 | 39 | SER | HB3 | H | 3.745 | 0.020 | 2 |
378 | 1 | 39 | SER | CA | C | 55.782 | 0.3 | 1 |
379 | 1 | 39 | SER | CB | C | 61.203 | 0.3 | 1 |
380 | 1 | 39 | SER | N | N | 116.896 | 0.3 | 1 |
381 | 1 | 40 | SER | H | H | 7.940 | 0.020 | 1 |
382 | 1 | 40 | SER | HA | H | 4.320 | 0.020 | 1 |
383 | 1 | 40 | SER | HB2 | H | 3.664 | 0.020 | 2 |
384 | 1 | 40 | SER | HB3 | H | 3.676 | 0.020 | 2 |
385 | 1 | 40 | SER | CA | C | 55.691 | 0.3 | 1 |
386 | 1 | 40 | SER | CB | C | 61.070 | 0.3 | 1 |
387 | 1 | 40 | SER | N | N | 116.337 | 0.3 | 1 |
388 | 1 | 41 | TYR | H | H | 7.798 | 0.020 | 1 |
389 | 1 | 41 | TYR | HA | H | 4.433 | 0.020 | 1 |
390 | 1 | 41 | TYR | HB2 | H | 2.926 | 0.020 | 2 |
391 | 1 | 41 | TYR | HB3 | H | 2.801 | 0.020 | 2 |
392 | 1 | 41 | TYR | HD1 | H | 7.037 | 0.020 | 3 |
393 | 1 | 41 | TYR | HD2 | H | 7.027 | 0.020 | 3 |
394 | 1 | 41 | TYR | CA | C | 55.197 | 0.3 | 1 |
395 | 1 | 41 | TYR | CB | C | 36.080 | 0.3 | 1 |
396 | 1 | 41 | TYR | CD2 | C | 130.170 | 0.3 | 1 |
397 | 1 | 41 | TYR | N | N | 120.673 | 0.3 | 1 |
398 | 1 | 42 | HIS | H | H | 7.869 | 0.020 | 1 |
399 | 1 | 42 | HIS | HA | H | 4.624 | 0.020 | 1 |
400 | 1 | 42 | HIS | HB2 | H | 3.146 | 0.020 | 2 |
401 | 1 | 42 | HIS | HB3 | H | 3.054 | 0.020 | 2 |
402 | 1 | 42 | HIS | HD2 | H | 7.122 | 0.020 | 1 |
403 | 1 | 42 | HIS | CA | C | 52.073 | 0.3 | 1 |
404 | 1 | 42 | HIS | CB | C | 27.006 | 0.3 | 1 |
405 | 1 | 42 | HIS | N | N | 118.572 | 0.3 | 1 |
406 | 1 | 43 | CYS | H | H | 7.949 | 0.020 | 1 |
407 | 1 | 43 | CYS | HA | H | 4.421 | 0.020 | 1 |
408 | 1 | 43 | CYS | HB2 | H | 3.197 | 0.020 | 2 |
409 | 1 | 43 | CYS | HB3 | H | 2.904 | 0.020 | 2 |
410 | 1 | 43 | CYS | CA | C | 53.684 | 0.3 | 1 |
411 | 1 | 43 | CYS | CB | C | 31.310 | 0.3 | 1 |
412 | 1 | 43 | CYS | N | N | 122.219 | 0.3 | 1 |