Backbone and side-chain chemical shift assignments of the conformers of the C terminal domain (CTD) of MazE9 antitoxin in Mycobacterium tuberculosis
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 3 | PRO | HA | H | 4.337 | 0.001 | 1 |
2 | 1 | 3 | PRO | HB2 | H | 2.119 | 0.001 | 1 |
3 | 1 | 3 | PRO | HB3 | H | 2.119 | 0.001 | 1 |
4 | 1 | 3 | PRO | HG2 | H | 1.843 | 0.003 | 2 |
5 | 1 | 3 | PRO | HG3 | H | 1.762 | 0.003 | 2 |
6 | 1 | 3 | PRO | HD2 | H | 3.565 | 0.000 | 2 |
7 | 1 | 3 | PRO | HD3 | H | 3.641 | 0.000 | 2 |
8 | 1 | 3 | PRO | C | C | 176.855 | 0.001 | 1 |
9 | 1 | 3 | PRO | CA | C | 63.385 | 0.021 | 1 |
10 | 1 | 3 | PRO | CB | C | 31.999 | 0.053 | 1 |
11 | 1 | 3 | PRO | CG | C | 27.215 | 0.006 | 1 |
12 | 1 | 3 | PRO | CD | C | 50.689 | 0.041 | 1 |
13 | 1 | 4 | THR | H | H | 8.077 | 0.001 | 1 |
14 | 1 | 4 | THR | HA | H | 4.156 | 0.000 | 1 |
15 | 1 | 4 | THR | HB | H | 4.057 | 0.000 | 1 |
16 | 1 | 4 | THR | HG21 | H | 1.027 | 0.002 | 1 |
17 | 1 | 4 | THR | HG22 | H | 1.027 | 0.002 | 1 |
18 | 1 | 4 | THR | HG23 | H | 1.027 | 0.002 | 1 |
19 | 1 | 4 | THR | C | C | 174.383 | 0.005 | 1 |
20 | 1 | 4 | THR | CA | C | 61.509 | 0.015 | 1 |
21 | 1 | 4 | THR | CB | C | 69.783 | 0.079 | 1 |
22 | 1 | 4 | THR | CG2 | C | 21.610 | 0.010 | 1 |
23 | 1 | 4 | THR | N | N | 114.066 | 0.007 | 1 |
24 | 1 | 5 | LEU | H | H | 8.103 | 0.001 | 1 |
25 | 1 | 5 | LEU | HA | H | 4.179 | 0.001 | 1 |
26 | 1 | 5 | LEU | HB2 | H | 1.476 | 0.000 | 2 |
27 | 1 | 5 | LEU | HB3 | H | 1.421 | 0.000 | 2 |
28 | 1 | 5 | LEU | HG | H | 1.442 | 0.003 | 1 |
29 | 1 | 5 | LEU | HD11 | H | 0.682 | 0.000 | 2 |
30 | 1 | 5 | LEU | HD12 | H | 0.682 | 0.000 | 2 |
31 | 1 | 5 | LEU | HD13 | H | 0.682 | 0.000 | 2 |
32 | 1 | 5 | LEU | HD21 | H | 0.736 | 0.000 | 2 |
33 | 1 | 5 | LEU | HD22 | H | 0.736 | 0.000 | 2 |
34 | 1 | 5 | LEU | HD23 | H | 0.736 | 0.000 | 2 |
35 | 1 | 5 | LEU | C | C | 177.265 | 0.001 | 1 |
36 | 1 | 5 | LEU | CA | C | 55.254 | 0.015 | 1 |
37 | 1 | 5 | LEU | CB | C | 42.134 | 0.016 | 1 |
38 | 1 | 5 | LEU | CG | C | 26.911 | 0.091 | 1 |
39 | 1 | 5 | LEU | CD1 | C | 23.317 | 0.034 | 2 |
40 | 1 | 5 | LEU | CD2 | C | 24.751 | 0.030 | 2 |
41 | 1 | 5 | LEU | N | N | 124.084 | 0.011 | 1 |
42 | 1 | 6 | GLU | H | H | 8.215 | 0.001 | 1 |
43 | 1 | 6 | GLU | HA | H | 4.044 | 0.000 | 1 |
44 | 1 | 6 | GLU | HB2 | H | 2.083 | 0.005 | 2 |
45 | 1 | 6 | GLU | HB3 | H | 1.734 | 0.004 | 2 |
46 | 1 | 6 | GLU | HG2 | H | 2.085 | 0.003 | 1 |
47 | 1 | 6 | GLU | HG3 | H | 2.085 | 0.003 | 1 |
48 | 1 | 6 | GLU | C | C | 176.319 | 0.069 | 1 |
49 | 1 | 6 | GLU | CA | C | 56.765 | 0.025 | 1 |
50 | 1 | 6 | GLU | CB | C | 30.069 | 0.030 | 1 |
51 | 1 | 6 | GLU | CG | C | 36.249 | 0.007 | 1 |
52 | 1 | 6 | GLU | N | N | 120.870 | 0.017 | 1 |
53 | 1 | 7 | ASP | H | H | 8.028 | 0.001 | 1 |
54 | 1 | 7 | ASP | HA | H | 4.344 | 0.000 | 1 |
55 | 1 | 7 | ASP | HB2 | H | 2.435 | 0.000 | 1 |
56 | 1 | 7 | ASP | HB3 | H | 2.435 | 0.000 | 1 |
57 | 1 | 7 | ASP | C | C | 175.925 | 0.001 | 1 |
58 | 1 | 7 | ASP | CA | C | 54.561 | 0.000 | 1 |
59 | 1 | 7 | ASP | CB | C | 41.084 | 0.000 | 1 |
60 | 1 | 7 | ASP | N | N | 120.584 | 0.042 | 1 |
61 | 1 | 8 | ASP | H | H | 8.040 | 0.001 | 1 |
62 | 1 | 8 | ASP | HA | H | 4.347 | 0.000 | 1 |
63 | 1 | 8 | ASP | HB2 | H | 2.406 | 0.000 | 1 |
64 | 1 | 8 | ASP | HB3 | H | 2.406 | 0.000 | 1 |
65 | 1 | 8 | ASP | C | C | 176.487 | 0.036 | 1 |
66 | 1 | 8 | ASP | CA | C | 54.478 | 0.002 | 1 |
67 | 1 | 8 | ASP | CB | C | 40.869 | 0.004 | 1 |
68 | 1 | 8 | ASP | N | N | 120.363 | 0.016 | 1 |
69 | 1 | 9 | TYR | H | H | 7.923 | 0.001 | 1 |
70 | 1 | 9 | TYR | HA | H | 4.268 | 0.002 | 1 |
71 | 1 | 9 | TYR | HB2 | H | 2.810 | 0.001 | 2 |
72 | 1 | 9 | TYR | HB3 | H | 2.921 | 0.001 | 2 |
73 | 1 | 9 | TYR | C | C | 176.102 | 0.016 | 1 |
74 | 1 | 9 | TYR | CA | C | 58.374 | 0.016 | 1 |
75 | 1 | 9 | TYR | CB | C | 38.071 | 0.015 | 1 |
76 | 1 | 9 | TYR | N | N | 120.373 | 0.024 | 1 |
77 | 1 | 10 | ALA | H | H | 7.880 | 0.001 | 1 |
78 | 1 | 10 | ALA | HA | H | 4.003 | 0.001 | 1 |
79 | 1 | 10 | ALA | HB1 | H | 1.180 | 0.000 | 1 |
80 | 1 | 10 | ALA | HB2 | H | 1.180 | 0.000 | 1 |
81 | 1 | 10 | ALA | HB3 | H | 1.180 | 0.000 | 1 |
82 | 1 | 10 | ALA | C | C | 177.642 | 0.006 | 1 |
83 | 1 | 10 | ALA | CA | C | 53.150 | 0.004 | 1 |
84 | 1 | 10 | ALA | CB | C | 18.814 | 0.030 | 1 |
85 | 1 | 10 | ALA | N | N | 123.652 | 0.015 | 1 |
86 | 1 | 11 | ASN | H | H | 7.909 | 0.001 | 1 |
87 | 1 | 11 | ASN | HA | H | 4.442 | 0.000 | 1 |
88 | 1 | 11 | ASN | HB2 | H | 2.474 | 0.000 | 2 |
89 | 1 | 11 | ASN | HB3 | H | 2.519 | 0.000 | 2 |
90 | 1 | 11 | ASN | HD21 | H | 7.477 | 0.002 | 1 |
91 | 1 | 11 | ASN | HD22 | H | 6.723 | 0.002 | 1 |
92 | 1 | 11 | ASN | C | C | 175.135 | 0.013 | 1 |
93 | 1 | 11 | ASN | CA | C | 53.179 | 0.077 | 1 |
94 | 1 | 11 | ASN | CB | C | 38.714 | 0.029 | 1 |
95 | 1 | 11 | ASN | CG | C | 176.851 | 0.001 | 1 |
96 | 1 | 11 | ASN | N | N | 116.319 | 0.021 | 1 |
97 | 1 | 11 | ASN | ND2 | N | 112.679 | 0.064 | 1 |
98 | 1 | 12 | ALA | H | H | 7.852 | 0.002 | 1 |
99 | 1 | 12 | ALA | HA | H | 4.057 | 0.000 | 1 |
100 | 1 | 12 | ALA | HB1 | H | 1.121 | 0.005 | 1 |
101 | 1 | 12 | ALA | HB2 | H | 1.121 | 0.005 | 1 |
102 | 1 | 12 | ALA | HB3 | H | 1.121 | 0.005 | 1 |
103 | 1 | 12 | ALA | C | C | 177.438 | 0.005 | 1 |
104 | 1 | 12 | ALA | CA | C | 52.929 | 0.025 | 1 |
105 | 1 | 12 | ALA | CB | C | 18.786 | 0.049 | 1 |
106 | 1 | 12 | ALA | N | N | 123.672 | 0.020 | 1 |
107 | 1 | 13 | TRP | H | H | 7.809 | 0.001 | 1 |
108 | 1 | 13 | TRP | HA | H | 4.300 | 0.004 | 1 |
109 | 1 | 13 | TRP | HB2 | H | 3.049 | 0.000 | 1 |
110 | 1 | 13 | TRP | HB3 | H | 3.049 | 0.000 | 1 |
111 | 1 | 13 | TRP | C | C | 176.166 | 0.003 | 1 |
112 | 1 | 13 | TRP | CA | C | 57.444 | 0.020 | 1 |
113 | 1 | 13 | TRP | CB | C | 28.988 | 0.032 | 1 |
114 | 1 | 13 | TRP | N | N | 119.337 | 0.015 | 1 |
115 | 1 | 14 | GLN | H | H | 7.613 | 0.001 | 1 |
116 | 1 | 14 | GLN | HA | H | 3.874 | 0.001 | 1 |
117 | 1 | 14 | GLN | HB2 | H | 1.494 | 0.000 | 2 |
118 | 1 | 14 | GLN | HB3 | H | 1.578 | 0.000 | 2 |
119 | 1 | 14 | GLN | HG2 | H | 1.768 | 0.000 | 2 |
120 | 1 | 14 | GLN | HG3 | H | 1.840 | 0.000 | 2 |
121 | 1 | 14 | GLN | HE21 | H | 7.128 | 0.001 | 1 |
122 | 1 | 14 | GLN | HE22 | H | 6.588 | 0.002 | 1 |
123 | 1 | 14 | GLN | C | C | 175.446 | 0.038 | 1 |
124 | 1 | 14 | GLN | CA | C | 55.740 | 0.017 | 1 |
125 | 1 | 14 | GLN | CB | C | 29.296 | 0.065 | 1 |
126 | 1 | 14 | GLN | CG | C | 33.256 | 0.033 | 1 |
127 | 1 | 14 | GLN | CD | C | 180.209 | 0.006 | 1 |
128 | 1 | 14 | GLN | N | N | 121.598 | 0.015 | 1 |
129 | 1 | 14 | GLN | NE2 | N | 111.318 | 0.062 | 1 |
130 | 1 | 15 | GLU | H | H | 7.928 | 0.002 | 1 |
131 | 1 | 15 | GLU | HA | H | 3.889 | 0.005 | 1 |
132 | 1 | 15 | GLU | HB2 | H | 1.693 | 0.019 | 2 |
133 | 1 | 15 | GLU | HB3 | H | 2.004 | 0.000 | 2 |
134 | 1 | 15 | GLU | HG2 | H | 2.011 | 0.000 | 2 |
135 | 1 | 15 | GLU | HG3 | H | 1.950 | 0.000 | 2 |
136 | 1 | 15 | GLU | C | C | 176.182 | 0.008 | 1 |
137 | 1 | 15 | GLU | CA | C | 56.619 | 0.054 | 1 |
138 | 1 | 15 | GLU | CB | C | 29.957 | 0.112 | 1 |
139 | 1 | 15 | GLU | CG | C | 36.017 | 0.002 | 1 |
140 | 1 | 15 | GLU | N | N | 121.152 | 0.016 | 1 |
141 | 1 | 16 | TRP | H | H | 7.865 | 0.001 | 1 |
142 | 1 | 16 | TRP | HA | H | 4.431 | 0.003 | 1 |
143 | 1 | 16 | TRP | HB2 | H | 3.080 | 0.002 | 1 |
144 | 1 | 16 | TRP | HB3 | H | 3.080 | 0.002 | 1 |
145 | 1 | 16 | TRP | HE1 | H | 9.895 | 0.000 | 1 |
146 | 1 | 16 | TRP | C | C | 176.152 | 0.017 | 1 |
147 | 1 | 16 | TRP | CA | C | 57.332 | 0.062 | 1 |
148 | 1 | 16 | TRP | CB | C | 29.451 | 0.058 | 1 |
149 | 1 | 16 | TRP | N | N | 121.539 | 0.031 | 1 |
150 | 1 | 16 | TRP | NE1 | N | 129.033 | 0.125 | 1 |
151 | 1 | 17 | SER | H | H | 7.720 | 0.001 | 1 |
152 | 1 | 17 | SER | HA | H | 4.071 | 0.003 | 1 |
153 | 1 | 17 | SER | HB2 | H | 3.514 | 0.000 | 2 |
154 | 1 | 17 | SER | HB3 | H | 3.453 | 0.000 | 2 |
155 | 1 | 17 | SER | C | C | 173.696 | 0.018 | 1 |
156 | 1 | 17 | SER | CA | C | 57.914 | 0.042 | 1 |
157 | 1 | 17 | SER | CB | C | 63.831 | 0.045 | 1 |
158 | 1 | 17 | SER | N | N | 117.407 | 0.063 | 1 |
159 | 1 | 18 | ALA | H | H | 7.922 | 0.001 | 1 |
160 | 1 | 18 | ALA | HA | H | 4.007 | 0.000 | 1 |
161 | 1 | 18 | ALA | HB1 | H | 1.185 | 0.001 | 1 |
162 | 1 | 18 | ALA | HB2 | H | 1.185 | 0.001 | 1 |
163 | 1 | 18 | ALA | HB3 | H | 1.185 | 0.001 | 1 |
164 | 1 | 18 | ALA | C | C | 177.392 | 0.015 | 1 |
165 | 1 | 18 | ALA | CA | C | 52.389 | 0.024 | 1 |
166 | 1 | 18 | ALA | CB | C | 18.988 | 0.047 | 1 |
167 | 1 | 18 | ALA | N | N | 125.858 | 0.014 | 1 |
168 | 1 | 19 | ALA | H | H | 7.961 | 0.002 | 1 |
169 | 1 | 19 | ALA | HA | H | 4.078 | 0.002 | 1 |
170 | 1 | 19 | ALA | HB1 | H | 1.194 | 0.000 | 1 |
171 | 1 | 19 | ALA | HB2 | H | 1.194 | 0.000 | 1 |
172 | 1 | 19 | ALA | HB3 | H | 1.194 | 0.000 | 1 |
173 | 1 | 19 | ALA | C | C | 178.090 | 0.006 | 1 |
174 | 1 | 19 | ALA | CA | C | 52.576 | 0.055 | 1 |
175 | 1 | 19 | ALA | CB | C | 19.093 | 0.033 | 1 |
176 | 1 | 19 | ALA | N | N | 122.724 | 0.019 | 1 |
177 | 1 | 20 | GLY | H | H | 8.020 | 0.001 | 1 |
178 | 1 | 20 | GLY | HA2 | H | 3.694 | 0.000 | 2 |
179 | 1 | 20 | GLY | HA3 | H | 3.724 | 0.001 | 2 |
180 | 1 | 20 | GLY | C | C | 173.810 | 0.000 | 1 |
181 | 1 | 20 | GLY | CA | C | 45.080 | 0.018 | 1 |
182 | 1 | 20 | GLY | N | N | 107.583 | 0.015 | 1 |
183 | 1 | 21 | ASP | H | H | 8.049 | 0.001 | 1 |
184 | 1 | 21 | ASP | HA | H | 4.498 | 0.000 | 1 |
185 | 1 | 21 | ASP | HB2 | H | 2.556 | 0.000 | 2 |
186 | 1 | 21 | ASP | HB3 | H | 2.463 | 0.000 | 2 |
187 | 1 | 21 | ASP | C | C | 176.558 | 0.006 | 1 |
188 | 1 | 21 | ASP | CA | C | 54.222 | 0.011 | 1 |
189 | 1 | 21 | ASP | CB | C | 41.073 | 0.020 | 1 |
190 | 1 | 21 | ASP | N | N | 120.312 | 0.014 | 1 |
191 | 1 | 22 | THR | H | H | 7.950 | 0.001 | 1 |
192 | 1 | 22 | THR | HA | H | 4.089 | 0.000 | 1 |
193 | 1 | 22 | THR | HB | H | 4.054 | 0.000 | 1 |
194 | 1 | 22 | THR | HG21 | H | 0.987 | 0.000 | 1 |
195 | 1 | 22 | THR | HG22 | H | 0.987 | 0.000 | 1 |
196 | 1 | 22 | THR | HG23 | H | 0.987 | 0.000 | 1 |
197 | 1 | 22 | THR | C | C | 174.394 | 0.010 | 1 |
198 | 1 | 22 | THR | CA | C | 61.901 | 0.024 | 1 |
199 | 1 | 22 | THR | CB | C | 69.689 | 0.070 | 1 |
200 | 1 | 22 | THR | CG2 | C | 21.278 | 0.003 | 1 |
201 | 1 | 22 | THR | N | N | 113.689 | 0.008 | 1 |
202 | 1 | 23 | ASP | H | H | 8.166 | 0.002 | 1 |
203 | 1 | 23 | ASP | HA | H | 4.374 | 0.000 | 1 |
204 | 1 | 23 | ASP | HB2 | H | 2.408 | 0.000 | 1 |
205 | 1 | 23 | ASP | HB3 | H | 2.408 | 0.000 | 1 |
206 | 1 | 23 | ASP | C | C | 176.043 | 0.003 | 1 |
207 | 1 | 23 | ASP | CA | C | 54.522 | 0.025 | 1 |
208 | 1 | 23 | ASP | CB | C | 40.941 | 0.035 | 1 |
209 | 1 | 23 | ASP | N | N | 122.470 | 0.013 | 1 |
210 | 1 | 24 | ALA | H | H | 7.913 | 0.002 | 1 |
211 | 1 | 24 | ALA | HA | H | 4.078 | 0.001 | 1 |
212 | 1 | 24 | ALA | HB1 | H | 1.117 | 0.001 | 1 |
213 | 1 | 24 | ALA | HB2 | H | 1.117 | 0.001 | 1 |
214 | 1 | 24 | ALA | HB3 | H | 1.117 | 0.001 | 1 |
215 | 1 | 24 | ALA | C | C | 177.471 | 0.002 | 1 |
216 | 1 | 24 | ALA | CA | C | 52.631 | 0.023 | 1 |
217 | 1 | 24 | ALA | CB | C | 18.858 | 0.053 | 1 |
218 | 1 | 24 | ALA | N | N | 123.670 | 0.022 | 1 |
219 | 1 | 25 | TRP | H | H | 7.843 | 0.002 | 1 |
220 | 1 | 25 | TRP | HA | H | 4.428 | 0.001 | 1 |
221 | 1 | 25 | TRP | HB2 | H | 3.097 | 0.000 | 1 |
222 | 1 | 25 | TRP | HB3 | H | 3.097 | 0.000 | 1 |
223 | 1 | 25 | TRP | HE1 | H | 9.925 | 0.000 | 1 |
224 | 1 | 25 | TRP | C | C | 176.222 | 0.001 | 1 |
225 | 1 | 25 | TRP | CA | C | 57.378 | 0.019 | 1 |
226 | 1 | 25 | TRP | CB | C | 29.280 | 0.039 | 1 |
227 | 1 | 25 | TRP | N | N | 120.004 | 0.012 | 1 |
228 | 1 | 25 | TRP | NE1 | N | 129.222 | 0.009 | 1 |
229 | 1 | 26 | GLU | H | H | 7.938 | 0.002 | 1 |
230 | 1 | 26 | GLU | HA | H | 3.935 | 0.003 | 1 |
231 | 1 | 26 | GLU | HB2 | H | 1.881 | 0.000 | 2 |
232 | 1 | 26 | GLU | HB3 | H | 1.618 | 0.000 | 2 |
233 | 1 | 26 | GLU | HG2 | H | 1.888 | 0.000 | 2 |
234 | 1 | 26 | GLU | HG3 | H | 1.893 | 0.005 | 2 |
235 | 1 | 26 | GLU | C | C | 175.975 | 0.032 | 1 |
236 | 1 | 26 | GLU | CA | C | 56.554 | 0.032 | 1 |
237 | 1 | 26 | GLU | CB | C | 30.159 | 0.040 | 1 |
238 | 1 | 26 | GLU | CG | C | 35.984 | 0.006 | 1 |
239 | 1 | 26 | GLU | N | N | 122.138 | 0.017 | 1 |
240 | 1 | 27 | GLN | H | H | 7.999 | 0.001 | 1 |
241 | 1 | 27 | GLN | HA | H | 4.087 | 0.001 | 1 |
242 | 1 | 27 | GLN | HB2 | H | 1.770 | 0.001 | 2 |
243 | 1 | 27 | GLN | HB3 | H | 1.906 | 0.008 | 2 |
244 | 1 | 27 | GLN | HG2 | H | 2.141 | 0.005 | 1 |
245 | 1 | 27 | GLN | HG3 | H | 2.141 | 0.005 | 1 |
246 | 1 | 27 | GLN | HE21 | H | 6.659 | 0.002 | 1 |
247 | 1 | 27 | GLN | HE22 | H | 7.349 | 0.002 | 1 |
248 | 1 | 27 | GLN | C | C | 175.978 | 0.014 | 1 |
249 | 1 | 27 | GLN | CA | C | 55.728 | 0.007 | 1 |
250 | 1 | 27 | GLN | CB | C | 29.315 | 0.094 | 1 |
251 | 1 | 27 | GLN | CG | C | 33.620 | 0.026 | 1 |
252 | 1 | 27 | GLN | CD | C | 180.255 | 0.006 | 1 |
253 | 1 | 27 | GLN | N | N | 120.816 | 0.019 | 1 |
254 | 1 | 27 | GLN | NE2 | N | 111.900 | 0.057 | 1 |
255 | 1 | 28 | THR | H | H | 8.047 | 0.001 | 1 |
256 | 1 | 28 | THR | HA | H | 4.167 | 0.000 | 1 |
257 | 1 | 28 | THR | HB | H | 4.009 | 0.003 | 1 |
258 | 1 | 28 | THR | HG21 | H | 1.009 | 0.005 | 1 |
259 | 1 | 28 | THR | HG22 | H | 1.009 | 0.005 | 1 |
260 | 1 | 28 | THR | HG23 | H | 1.009 | 0.005 | 1 |
261 | 1 | 28 | THR | C | C | 174.446 | 0.021 | 1 |
262 | 1 | 28 | THR | CA | C | 61.831 | 0.039 | 1 |
263 | 1 | 28 | THR | CB | C | 69.731 | 0.075 | 1 |
264 | 1 | 28 | THR | CG2 | C | 21.432 | 0.020 | 1 |
265 | 1 | 28 | THR | N | N | 116.069 | 0.010 | 1 |
266 | 1 | 29 | VAL | H | H | 8.029 | 0.002 | 1 |
267 | 1 | 29 | VAL | HA | H | 3.961 | 0.000 | 1 |
268 | 1 | 29 | VAL | HB | H | 1.882 | 0.002 | 1 |
269 | 1 | 29 | VAL | HG11 | H | 0.737 | 0.000 | 2 |
270 | 1 | 29 | VAL | HG12 | H | 0.737 | 0.000 | 2 |
271 | 1 | 29 | VAL | HG13 | H | 0.737 | 0.000 | 2 |
272 | 1 | 29 | VAL | HG21 | H | 0.751 | 0.002 | 2 |
273 | 1 | 29 | VAL | HG22 | H | 0.751 | 0.002 | 2 |
274 | 1 | 29 | VAL | HG23 | H | 0.751 | 0.002 | 2 |
275 | 1 | 29 | VAL | C | C | 176.419 | 0.000 | 1 |
276 | 1 | 29 | VAL | CA | C | 62.277 | 0.047 | 1 |
277 | 1 | 29 | VAL | CB | C | 32.698 | 0.018 | 1 |
278 | 1 | 29 | VAL | CG1 | C | 20.314 | 0.015 | 2 |
279 | 1 | 29 | VAL | CG2 | C | 20.911 | 0.046 | 2 |
280 | 1 | 29 | VAL | N | N | 122.401 | 0.016 | 1 |
281 | 1 | 30 | GLY | H | H | 8.241 | 0.001 | 1 |
282 | 1 | 30 | GLY | HA2 | H | 3.800 | 0.000 | 1 |
283 | 1 | 30 | GLY | HA3 | H | 3.800 | 0.000 | 1 |
284 | 1 | 30 | GLY | C | C | 173.741 | 0.014 | 1 |
285 | 1 | 30 | GLY | CA | C | 45.067 | 0.004 | 1 |
286 | 1 | 30 | GLY | N | N | 112.314 | 0.015 | 1 |
287 | 1 | 31 | ASP | H | H | 8.133 | 0.001 | 1 |
288 | 1 | 31 | ASP | HA | H | 4.431 | 0.000 | 1 |
289 | 1 | 31 | ASP | HB2 | H | 2.516 | 0.000 | 1 |
290 | 1 | 31 | ASP | HB3 | H | 2.516 | 0.000 | 1 |
291 | 1 | 31 | ASP | C | C | 176.880 | 0.007 | 1 |
292 | 1 | 31 | ASP | CA | C | 54.280 | 0.007 | 1 |
293 | 1 | 31 | ASP | CB | C | 41.138 | 0.018 | 1 |
294 | 1 | 31 | ASP | N | N | 120.339 | 0.014 | 1 |
295 | 1 | 32 | GLY | H | H | 8.308 | 0.001 | 1 |
296 | 1 | 32 | GLY | HA2 | H | 3.789 | 0.000 | 1 |
297 | 1 | 32 | GLY | HA3 | H | 3.789 | 0.000 | 1 |
298 | 1 | 32 | GLY | C | C | 174.320 | 0.005 | 1 |
299 | 1 | 32 | GLY | CA | C | 45.372 | 0.012 | 1 |
300 | 1 | 32 | GLY | N | N | 109.283 | 0.007 | 1 |
301 | 1 | 33 | VAL | H | H | 7.857 | 0.001 | 1 |
302 | 1 | 33 | VAL | HA | H | 3.943 | 0.000 | 1 |
303 | 1 | 33 | VAL | HB | H | 1.949 | 0.001 | 1 |
304 | 1 | 33 | VAL | HG11 | H | 0.742 | 0.005 | 2 |
305 | 1 | 33 | VAL | HG12 | H | 0.742 | 0.005 | 2 |
306 | 1 | 33 | VAL | HG13 | H | 0.742 | 0.005 | 2 |
307 | 1 | 33 | VAL | HG21 | H | 0.750 | 0.002 | 2 |
308 | 1 | 33 | VAL | HG22 | H | 0.750 | 0.002 | 2 |
309 | 1 | 33 | VAL | HG23 | H | 0.750 | 0.002 | 2 |
310 | 1 | 33 | VAL | C | C | 176.770 | 0.008 | 1 |
311 | 1 | 33 | VAL | CA | C | 62.559 | 0.011 | 1 |
312 | 1 | 33 | VAL | CB | C | 32.410 | 0.029 | 1 |
313 | 1 | 33 | VAL | CG1 | C | 20.298 | 0.002 | 2 |
314 | 1 | 33 | VAL | CG2 | C | 20.940 | 0.017 | 2 |
315 | 1 | 33 | VAL | N | N | 119.106 | 0.015 | 1 |
316 | 1 | 34 | GLY | H | H | 8.349 | 0.001 | 1 |
317 | 1 | 34 | GLY | HA2 | H | 3.790 | 0.000 | 1 |
318 | 1 | 34 | GLY | HA3 | H | 3.790 | 0.000 | 1 |
319 | 1 | 34 | GLY | C | C | 173.686 | 0.000 | 1 |
320 | 1 | 34 | GLY | CA | C | 45.094 | 0.010 | 1 |
321 | 1 | 34 | GLY | N | N | 112.059 | 0.011 | 1 |
322 | 1 | 35 | ASP | H | H | 8.019 | 0.000 | 1 |
323 | 1 | 35 | ASP | HA | H | 4.437 | 0.000 | 1 |
324 | 1 | 35 | ASP | HB2 | H | 2.458 | 0.000 | 2 |
325 | 1 | 35 | ASP | HB3 | H | 2.424 | 0.000 | 2 |
326 | 1 | 35 | ASP | C | C | 175.556 | 0.019 | 1 |
327 | 1 | 35 | ASP | CA | C | 53.914 | 0.016 | 1 |
328 | 1 | 35 | ASP | CB | C | 41.162 | 0.015 | 1 |
329 | 1 | 35 | ASP | N | N | 120.373 | 0.013 | 1 |
330 | 1 | 36 | ALA | H | H | 7.979 | 0.001 | 1 |
331 | 1 | 36 | ALA | HA | H | 4.395 | 0.000 | 1 |
332 | 1 | 36 | ALA | HB1 | H | 1.177 | 0.000 | 1 |
333 | 1 | 36 | ALA | HB2 | H | 1.177 | 0.000 | 1 |
334 | 1 | 36 | ALA | HB3 | H | 1.177 | 0.000 | 1 |
335 | 1 | 36 | ALA | C | C | 175.311 | 0.000 | 1 |
336 | 1 | 36 | ALA | CA | C | 50.461 | 0.005 | 1 |
337 | 1 | 36 | ALA | CB | C | 18.110 | 0.040 | 1 |
338 | 1 | 36 | ALA | N | N | 125.125 | 0.053 | 1 |
339 | 1 | 37 | PRO | HA | H | 4.228 | 0.001 | 1 |
340 | 1 | 37 | PRO | HB2 | H | 2.112 | 0.000 | 1 |
341 | 1 | 37 | PRO | HB3 | H | 2.112 | 0.000 | 1 |
342 | 1 | 37 | PRO | HG2 | H | 1.792 | 0.000 | 2 |
343 | 1 | 37 | PRO | HG3 | H | 1.847 | 0.000 | 2 |
344 | 1 | 37 | PRO | HD2 | H | 3.611 | 0.003 | 2 |
345 | 1 | 37 | PRO | HD3 | H | 3.449 | 0.001 | 2 |
346 | 1 | 37 | PRO | C | C | 176.035 | 0.014 | 1 |
347 | 1 | 37 | PRO | CA | C | 63.160 | 0.014 | 1 |
348 | 1 | 37 | PRO | CB | C | 31.854 | 0.006 | 1 |
349 | 1 | 37 | PRO | CG | C | 27.279 | 0.000 | 1 |
350 | 1 | 37 | PRO | CD | C | 50.368 | 0.056 | 1 |
351 | 1 | 38 | ARG | H | H | 7.859 | 0.001 | 1 |
352 | 1 | 38 | ARG | HA | H | 4.000 | 0.000 | 1 |
353 | 1 | 38 | ARG | C | C | 180.997 | 0.000 | 1 |
354 | 1 | 38 | ARG | CA | C | 57.155 | 0.019 | 1 |
355 | 1 | 38 | ARG | CB | C | 32.032 | 0.000 | 1 |
356 | 1 | 38 | ARG | N | N | 126.563 | 0.022 | 1 |
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
357 | 1 | 3 | PRO | HA | H | 4.662 | 0.000 | 1 |
358 | 1 | 3 | PRO | HB2 | H | 2.172 | 0.001 | 2 |
359 | 1 | 3 | PRO | HB3 | H | 1.980 | 0.003 | 2 |
360 | 1 | 3 | PRO | HG2 | H | 1.793 | 0.000 | 2 |
361 | 1 | 3 | PRO | HG3 | H | 1.644 | 0.001 | 2 |
362 | 1 | 3 | PRO | HD2 | H | 3.450 | 0.000 | 2 |
363 | 1 | 3 | PRO | HD3 | H | 3.326 | 0.002 | 2 |
364 | 1 | 3 | PRO | C | C | 176.255 | 0.002 | 1 |
365 | 1 | 3 | PRO | CA | C | 62.842 | 0.021 | 1 |
366 | 1 | 3 | PRO | CB | C | 34.394 | 0.033 | 1 |
367 | 1 | 3 | PRO | CG | C | 24.469 | 0.021 | 1 |
368 | 1 | 3 | PRO | CD | C | 50.097 | 0.015 | 1 |
369 | 1 | 4 | THR | H | H | 8.393 | 0.001 | 1 |
370 | 1 | 4 | THR | HA | H | 4.176 | 0.000 | 1 |
371 | 1 | 4 | THR | HB | H | 4.044 | 0.000 | 1 |
372 | 1 | 4 | THR | HG21 | H | 1.068 | 0.003 | 1 |
373 | 1 | 4 | THR | HG22 | H | 1.068 | 0.003 | 1 |
374 | 1 | 4 | THR | HG23 | H | 1.068 | 0.003 | 1 |
375 | 1 | 4 | THR | C | C | 174.318 | 0.013 | 1 |
376 | 1 | 4 | THR | CA | C | 62.259 | 0.053 | 1 |
377 | 1 | 4 | THR | CB | C | 69.632 | 0.090 | 1 |
378 | 1 | 4 | THR | CG2 | C | 21.730 | 0.017 | 1 |
379 | 1 | 4 | THR | N | N | 116.724 | 0.023 | 1 |
380 | 1 | 5 | LEU | H | H | 8.295 | 0.001 | 1 |
381 | 1 | 5 | LEU | HA | H | 4.194 | 0.000 | 1 |
382 | 1 | 5 | LEU | HB2 | H | 1.441 | 0.000 | 1 |
383 | 1 | 5 | LEU | HB3 | H | 1.441 | 0.000 | 1 |
384 | 1 | 5 | LEU | HG | H | 1.517 | 0.000 | 1 |
385 | 1 | 5 | LEU | HD11 | H | 0.710 | 0.003 | 2 |
386 | 1 | 5 | LEU | HD12 | H | 0.710 | 0.003 | 2 |
387 | 1 | 5 | LEU | HD13 | H | 0.710 | 0.003 | 2 |
388 | 1 | 5 | LEU | HD21 | H | 0.713 | 0.000 | 2 |
389 | 1 | 5 | LEU | HD22 | H | 0.713 | 0.000 | 2 |
390 | 1 | 5 | LEU | HD23 | H | 0.713 | 0.000 | 2 |
391 | 1 | 5 | LEU | C | C | 177.230 | 0.009 | 1 |
392 | 1 | 5 | LEU | CA | C | 55.134 | 0.055 | 1 |
393 | 1 | 5 | LEU | CB | C | 42.155 | 0.040 | 1 |
394 | 1 | 5 | LEU | CG | C | 26.961 | 0.087 | 1 |
395 | 1 | 5 | LEU | CD1 | C | 23.232 | 0.006 | 2 |
396 | 1 | 5 | LEU | CD2 | C | 24.695 | 0.000 | 2 |
397 | 1 | 5 | LEU | N | N | 125.402 | 0.019 | 1 |
398 | 1 | 6 | GLU | H | H | 8.297 | 0.002 | 1 |
399 | 1 | 6 | GLU | C | C | 176.328 | 0.000 | 1 |
400 | 1 | 6 | GLU | CA | C | 56.847 | 0.000 | 1 |
401 | 1 | 6 | GLU | CB | C | 30.013 | 0.000 | 1 |
402 | 1 | 6 | GLU | N | N | 120.964 | 0.016 | 1 |
403 | 1 | 29 | VAL | HA | H | 4.000 | 0.000 | 1 |
404 | 1 | 29 | VAL | HB | H | 1.960 | 0.000 | 1 |
405 | 1 | 29 | VAL | HG11 | H | 0.743 | 0.001 | 2 |
406 | 1 | 29 | VAL | HG12 | H | 0.743 | 0.001 | 2 |
407 | 1 | 29 | VAL | HG13 | H | 0.743 | 0.001 | 2 |
408 | 1 | 29 | VAL | HG21 | H | 0.743 | 0.000 | 2 |
409 | 1 | 29 | VAL | HG22 | H | 0.743 | 0.000 | 2 |
410 | 1 | 29 | VAL | HG23 | H | 0.743 | 0.000 | 2 |
411 | 1 | 29 | VAL | C | C | 175.743 | 0.026 | 1 |
412 | 1 | 29 | VAL | CA | C | 62.192 | 0.014 | 1 |
413 | 1 | 29 | VAL | CB | C | 32.655 | 0.027 | 1 |
414 | 1 | 29 | VAL | CG1 | C | 19.908 | 0.002 | 2 |
415 | 1 | 29 | VAL | CG2 | C | 20.976 | 0.000 | 2 |
416 | 1 | 30 | GLY | H | H | 7.954 | 0.001 | 1 |
417 | 1 | 30 | GLY | C | C | 178.855 | 0.000 | 1 |
418 | 1 | 30 | GLY | CA | C | 45.952 | 0.000 | 1 |
419 | 1 | 30 | GLY | N | N | 118.465 | 0.017 | 1 |
420 | 1 | 31 | ASP | HA | H | 4.433 | 0.000 | 1 |
421 | 1 | 31 | ASP | HB2 | H | 2.514 | 0.000 | 1 |
422 | 1 | 31 | ASP | HB3 | H | 2.514 | 0.000 | 1 |
423 | 1 | 31 | ASP | C | C | 176.833 | 0.019 | 1 |
424 | 1 | 31 | ASP | CA | C | 54.282 | 0.005 | 1 |
425 | 1 | 31 | ASP | CB | C | 41.132 | 0.018 | 1 |
426 | 1 | 32 | GLY | H | H | 8.269 | 0.002 | 1 |
427 | 1 | 32 | GLY | HA2 | H | 3.790 | 0.000 | 1 |
428 | 1 | 32 | GLY | HA3 | H | 3.790 | 0.000 | 1 |
429 | 1 | 32 | GLY | C | C | 174.077 | 0.023 | 1 |
430 | 1 | 32 | GLY | CA | C | 45.390 | 0.012 | 1 |
431 | 1 | 32 | GLY | N | N | 109.186 | 0.013 | 1 |
432 | 1 | 33 | VAL | H | H | 7.808 | 0.003 | 1 |
433 | 1 | 33 | VAL | C | C | 175.764 | 0.000 | 1 |
434 | 1 | 33 | VAL | CA | C | 62.177 | 0.000 | 1 |
435 | 1 | 33 | VAL | CB | C | 32.691 | 0.000 | 1 |
436 | 1 | 33 | VAL | N | N | 118.991 | 0.017 | 1 |
437 | 1 | 35 | ASP | HA | H | 4.417 | 0.000 | 1 |
438 | 1 | 35 | ASP | HB2 | H | 2.429 | 0.000 | 2 |
439 | 1 | 35 | ASP | HB3 | H | 2.469 | 0.000 | 2 |
440 | 1 | 35 | ASP | C | C | 174.761 | 0.000 | 1 |
441 | 1 | 35 | ASP | CA | C | 53.979 | 0.035 | 1 |
442 | 1 | 35 | ASP | CB | C | 41.138 | 0.021 | 1 |
443 | 1 | 36 | ALA | H | H | 7.804 | 0.001 | 1 |
444 | 1 | 36 | ALA | C | C | 175.363 | 0.000 | 1 |
445 | 1 | 36 | ALA | CA | C | 50.415 | 0.000 | 1 |
446 | 1 | 36 | ALA | CB | C | 19.146 | 0.000 | 1 |
447 | 1 | 36 | ALA | N | N | 122.519 | 0.014 | 1 |
448 | 1 | 37 | PRO | HA | H | 4.419 | 0.000 | 1 |
449 | 1 | 37 | PRO | HB2 | H | 2.158 | 0.000 | 2 |
450 | 1 | 37 | PRO | HB3 | H | 2.003 | 0.000 | 2 |
451 | 1 | 37 | PRO | HG2 | H | 1.756 | 0.000 | 1 |
452 | 1 | 37 | PRO | HG3 | H | 1.756 | 0.000 | 1 |
453 | 1 | 37 | PRO | HD2 | H | 3.337 | 0.000 | 1 |
454 | 1 | 37 | PRO | HD3 | H | 3.337 | 0.000 | 1 |
455 | 1 | 37 | PRO | C | C | 175.408 | 0.013 | 1 |
456 | 1 | 37 | PRO | CA | C | 62.613 | 0.032 | 1 |
457 | 1 | 37 | PRO | CB | C | 34.122 | 0.024 | 1 |
458 | 1 | 37 | PRO | CG | C | 24.492 | 0.002 | 1 |
459 | 1 | 37 | PRO | CD | C | 50.151 | 0.039 | 1 |
460 | 1 | 38 | ARG | H | H | 8.095 | 0.001 | 1 |
461 | 1 | 38 | ARG | C | C | 180.820 | 0.000 | 1 |
462 | 1 | 38 | ARG | CA | C | 57.452 | 0.000 | 1 |
463 | 1 | 38 | ARG | CB | C | 31.320 | 0.000 | 1 |
464 | 1 | 38 | ARG | N | N | 127.145 | 0.018 | 1 |