Structural characterization of the biological synthetic peptide pCEMP1
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 2 | GLY | H | H | 8.701 | 0.005 | |
2 | 1 | 2 | GLY | HA2 | H | 4.075 | 0.001 | |
3 | 1 | 2 | GLY | HA3 | H | 4.231 | 0.003 | |
4 | 1 | 3 | THR | H | H | 8.150 | 0.000 | |
5 | 1 | 3 | THR | HA | H | 4.508 | 0.000 | |
6 | 1 | 3 | THR | HB | H | 4.414 | 0.000 | |
7 | 1 | 3 | THR | HG21 | H | 1.289 | 0.000 | |
8 | 1 | 3 | THR | HG22 | H | 1.289 | 0.000 | |
9 | 1 | 3 | THR | HG23 | H | 1.289 | 0.000 | |
10 | 1 | 4 | SER | H | H | 8.326 | 0.000 | |
11 | 1 | 4 | SER | HA | H | 4.600 | 0.000 | |
12 | 1 | 4 | SER | HB2 | H | 3.967 | 0.000 | |
13 | 1 | 4 | SER | HB3 | H | 4.038 | 0.000 | |
14 | 1 | 5 | SER | H | H | 8.406 | 0.003 | |
15 | 1 | 5 | SER | HA | H | 4.572 | 0.001 | |
16 | 1 | 5 | SER | HB2 | H | 3.967 | 0.000 | |
17 | 1 | 5 | SER | HB3 | H | 4.033 | 0.000 | |
18 | 1 | 6 | THR | H | H | 8.092 | 0.000 | |
19 | 1 | 6 | THR | HA | H | 4.368 | 0.000 | |
20 | 1 | 6 | THR | HB | H | 4.277 | 0.000 | |
21 | 1 | 6 | THR | HG21 | H | 1.291 | 0.000 | |
22 | 1 | 6 | THR | HG22 | H | 1.291 | 0.000 | |
23 | 1 | 6 | THR | HG23 | H | 1.291 | 0.000 | |
24 | 1 | 7 | ASP | H | H | 8.322 | 0.000 | |
25 | 1 | 7 | ASP | HA | H | 4.787 | 0.000 | |
26 | 1 | 7 | ASP | HB2 | H | 2.981 | 0.000 | |
27 | 1 | 7 | ASP | HB3 | H | 2.981 | 0.000 | |
28 | 1 | 8 | SER | H | H | 8.195 | 0.000 | |
29 | 1 | 8 | SER | HA | H | 4.403 | 0.001 | |
30 | 1 | 8 | SER | HB2 | H | 3.969 | 0.004 | |
31 | 1 | 8 | SER | HB3 | H | 4.053 | 0.000 | |
32 | 1 | 9 | GLN | H | H | 8.294 | 0.000 | |
33 | 1 | 9 | GLN | HA | H | 4.339 | 0.003 | |
34 | 1 | 9 | GLN | HB2 | H | 2.145 | 0.000 | |
35 | 1 | 9 | GLN | HB3 | H | 2.237 | 0.001 | |
36 | 1 | 9 | GLN | HG2 | H | 2.472 | 0.000 | |
37 | 1 | 9 | GLN | HG3 | H | 2.472 | 0.000 | |
38 | 1 | 9 | GLN | HE21 | H | 6.687 | 0.004 | |
39 | 1 | 9 | GLN | HE22 | H | 7.392 | 0.001 | |
40 | 1 | 10 | GLN | H | H | 8.188 | 0.000 | |
41 | 1 | 10 | GLN | HA | H | 4.293 | 0.001 | |
42 | 1 | 10 | GLN | HB2 | H | 2.097 | 0.000 | |
43 | 1 | 10 | GLN | HB3 | H | 2.203 | 0.000 | |
44 | 1 | 10 | GLN | HG2 | H | 2.458 | 0.000 | |
45 | 1 | 10 | GLN | HG3 | H | 2.458 | 0.000 | |
46 | 1 | 10 | GLN | HE21 | H | 6.693 | 0.004 | |
47 | 1 | 10 | GLN | HE22 | H | 7.363 | 0.007 | |
48 | 1 | 11 | ALA | H | H | 8.124 | 0.000 | |
49 | 1 | 11 | ALA | HA | H | 4.261 | 0.000 | |
50 | 1 | 11 | ALA | HB1 | H | 1.481 | 0.003 | |
51 | 1 | 11 | ALA | HB2 | H | 1.481 | 0.003 | |
52 | 1 | 11 | ALA | HB3 | H | 1.481 | 0.003 | |
53 | 1 | 12 | GLY | H | H | 8.214 | 0.005 | |
54 | 1 | 12 | GLY | HA2 | H | 3.944 | 0.004 | |
55 | 1 | 12 | GLY | HA3 | H | 3.944 | 0.004 | |
56 | 1 | 13 | HIS | H | H | 8.130 | 0.000 | |
57 | 1 | 13 | HIS | HA | H | 4.726 | 0.000 | |
58 | 1 | 13 | HIS | HB2 | H | 3.395 | 0.007 | |
59 | 1 | 13 | HIS | HB3 | H | 3.254 | 0.000 | |
60 | 1 | 13 | HIS | HD2 | H | 7.340 | 0.002 | |
61 | 1 | 13 | HIS | HE1 | H | 8.605 | 0.000 | |
62 | 1 | 14 | ARG | H | H | 8.197 | 0.000 | |
63 | 1 | 14 | ARG | HA | H | 4.401 | 0.001 | |
64 | 1 | 14 | ARG | HB2 | H | 1.882 | 0.000 | |
65 | 1 | 14 | ARG | HB3 | H | 1.965 | 0.000 | |
66 | 1 | 14 | ARG | HG2 | H | 1.745 | 0.000 | |
67 | 1 | 14 | ARG | HG3 | H | 1.745 | 0.000 | |
68 | 1 | 14 | ARG | HD2 | H | 3.263 | 0.000 | |
69 | 1 | 14 | ARG | HD3 | H | 3.263 | 0.000 | |
70 | 1 | 15 | ARG | H | H | 8.312 | 0.000 | |
71 | 1 | 15 | ARG | HA | H | 4.425 | 0.000 | |
72 | 1 | 15 | ARG | HB2 | H | 1.891 | 0.000 | |
73 | 1 | 15 | ARG | HB3 | H | 1.966 | 0.000 | |
74 | 1 | 15 | ARG | HG2 | H | 1.744 | 0.000 | |
75 | 1 | 15 | ARG | HG3 | H | 1.744 | 0.000 | |
76 | 1 | 15 | ARG | HD2 | H | 3.260 | 0.000 | |
77 | 1 | 15 | ARG | HD3 | H | 3.260 | 0.000 | |
78 | 1 | 16 | CYS | H | H | 8.283 | 0.000 | |
79 | 1 | 16 | CYS | HA | H | 4.643 | 0.000 | |
80 | 1 | 16 | CYS | HB2 | H | 3.027 | 0.000 | |
81 | 1 | 16 | CYS | HB3 | H | 3.027 | 0.000 | |
82 | 1 | 17 | SER | H | H | 8.313 | 0.000 | |
83 | 1 | 17 | SER | HA | H | 4.604 | 0.000 | |
84 | 1 | 17 | SER | HB2 | H | 3.942 | 0.006 | |
85 | 1 | 17 | SER | HB3 | H | 4.026 | 0.003 | |
86 | 1 | 18 | THR | H | H | 8.047 | 0.000 | |
87 | 1 | 18 | THR | HA | H | 4.507 | 0.000 | |
88 | 1 | 18 | THR | HB | H | 4.427 | 0.000 | |
89 | 1 | 18 | THR | HG21 | H | 1.290 | 0.000 | |
90 | 1 | 18 | THR | HG22 | H | 1.290 | 0.000 | |
91 | 1 | 18 | THR | HG23 | H | 1.290 | 0.000 | |
92 | 1 | 19 | SER | H | H | 8.138 | 0.000 | |
93 | 1 | 19 | SER | HA | H | 4.595 | 0.000 | |
94 | 1 | 19 | SER | HB2 | H | 3.934 | 0.001 | |
95 | 1 | 19 | SER | HB3 | H | 3.970 | 0.000 | |
96 | 1 | 20 | ASN | H | H | 8.215 | 0.000 | |
97 | 1 | 20 | ASN | HA | H | 4.786 | 0.000 | |
98 | 1 | 20 | ASN | HB2 | H | 2.893 | 0.000 | |
99 | 1 | 20 | ASN | HB3 | H | 2.893 | 0.000 |