Beta-proline homodimer made of 5-(2-(trifluoromethyl)phenyl)pyrrolidine-2,4-dicarboxylate monomeric units, Z conformation
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 1 | UVR | C | C | 174.748 | 0.009 | |
2 | 1 | 1 | UVR | C1 | C | 134.147 | 0.009 | |
3 | 1 | 1 | UVR | C21 | C | 127.760 | 0.009 | |
4 | 1 | 1 | UVR | C31 | C | 125.445 | 0.009 | |
5 | 1 | 1 | UVR | C4 | C | 127.250 | 0.009 | |
6 | 1 | 1 | UVR | C32 | C | 132.087 | 0.009 | |
7 | 1 | 1 | UVR | C22 | C | 129.472 | 0.009 | |
8 | 1 | 1 | UVR | CA | C | 62.462 | 0.009 | |
9 | 1 | 1 | UVR | CB | C | 45.017 | 0.009 | |
10 | 1 | 1 | UVR | CD | C | 59.429 | 0.009 | |
11 | 1 | 1 | UVR | CE | C | 172.286 | 0.009 | |
12 | 1 | 1 | UVR | CG | C | 35.946 | 0.009 | |
13 | 1 | 1 | UVR | CZ | C | 52.288 | 0.009 | |
14 | 1 | 1 | UVR | H3 | H | 7.348 | 0.004 | |
15 | 1 | 1 | UVR | H4 | H | 7.376 | 0.004 | |
16 | 1 | 1 | UVR | H5 | H | 7.566 | 0.004 | |
17 | 1 | 1 | UVR | H6 | H | 7.648 | 0.004 | |
18 | 1 | 1 | UVR | HA | H | 4.052 | 0.004 | |
19 | 1 | 1 | UVR | HB | H | 3.021 | 0.004 | |
20 | 1 | 1 | UVR | HD | H | 3.996 | 0.004 | |
21 | 1 | 1 | UVR | HG1 | H | 2.486 | 0.004 | |
22 | 1 | 1 | UVR | HG2 | H | 2.263 | 0.004 | |
23 | 1 | 1 | UVR | HZ1 | H | 3.784 | 0.004 | 1 |
24 | 1 | 1 | UVR | HZ2 | H | 3.784 | 0.004 | 1 |
25 | 1 | 1 | UVR | HZ3 | H | 3.784 | 0.004 | 1 |
26 | 1 | 2 | UVR | C | C | 169.557 | 0.009 | |
27 | 1 | 2 | UVR | C1 | C | 136.406 | 0.009 | |
28 | 1 | 2 | UVR | C21 | C | 126.546 | 0.009 | |
29 | 1 | 2 | UVR | C31 | C | 125.619 | 0.009 | |
30 | 1 | 2 | UVR | C4 | C | 127.635 | 0.009 | |
31 | 1 | 2 | UVR | C32 | C | 132.083 | 0.009 | |
32 | 1 | 2 | UVR | C22 | C | 129.352 | 0.009 | |
33 | 1 | 2 | UVR | CA | C | 59.878 | 0.009 | |
34 | 1 | 2 | UVR | CB | C | 49.158 | 0.009 | |
35 | 1 | 2 | UVR | CD | C | 59.521 | 0.009 | |
36 | 1 | 2 | UVR | CE | C | 170.970 | 0.009 | |
37 | 1 | 2 | UVR | CG | C | 31.200 | 0.009 | |
38 | 1 | 2 | UVR | CZ | C | 52.198 | 0.009 | |
39 | 1 | 2 | UVR | H3 | H | 7.539 | 0.004 | |
40 | 1 | 2 | UVR | H4 | H | 7.233 | 0.004 | |
41 | 1 | 2 | UVR | H5 | H | 6.897 | 0.004 | |
42 | 1 | 2 | UVR | H6 | H | 7.331 | 0.004 | |
43 | 1 | 2 | UVR | HA | H | 5.492 | 0.004 | |
44 | 1 | 2 | UVR | HB | H | 3.381 | 0.004 | |
45 | 1 | 2 | UVR | HD | H | 4.532 | 0.004 | |
46 | 1 | 2 | UVR | HG1 | H | 2.331 | 0.004 | |
47 | 1 | 2 | UVR | HG2 | H | 2.265 | 0.004 | |
48 | 1 | 2 | UVR | HZ1 | H | 3.759 | 0.004 | 1 |
49 | 1 | 2 | UVR | HZ2 | H | 3.759 | 0.004 | 1 |
50 | 1 | 2 | UVR | HZ3 | H | 3.759 | 0.004 | 1 |
51 | 1 | 2 | UVR | CM1 | C | 74.801 | 0.009 | |
52 | 1 | 2 | UVR | CM2 | C | 46.481 | 0.009 | |
53 | 1 | 2 | UVR | CM3 | C | 23.140 | 0.009 | |
54 | 1 | 2 | UVR | CM4 | C | 33.811 | 0.009 | |
55 | 1 | 2 | UVR | CM5 | C | 30.925 | 0.009 | |
56 | 1 | 2 | UVR | CM6 | C | 39.657 | 0.009 | |
57 | 1 | 2 | UVR | CM7 | C | 21.676 | 0.009 | |
58 | 1 | 2 | UVR | CM8 | C | 26.042 | 0.009 | |
59 | 1 | 2 | UVR | CM9 | C | 20.517 | 0.009 | |
60 | 1 | 2 | UVR | CM10 | C | 16.055 | 0.009 | |
61 | 1 | 2 | UVR | H1 | H | 4.236 | 0.004 | |
62 | 1 | 2 | UVR | H2 | H | 1.093 | 0.004 | |
63 | 1 | 2 | UVR | H31 | H | 1.509 | 0.004 | |
64 | 1 | 2 | UVR | H32 | H | 0.825 | 0.004 | |
65 | 1 | 2 | UVR | H41 | H | 1.523 | 0.004 | |
66 | 1 | 2 | UVR | H42 | H | 0.683 | 0.004 | |
67 | 1 | 2 | UVR | HM5 | H | 1.177 | 0.004 | |
68 | 1 | 2 | UVR | H61 | H | 1.172 | 0.004 | |
69 | 1 | 2 | UVR | H62 | H | 0.386 | 0.004 | |
70 | 1 | 2 | UVR | H71 | H | 0.730 | 0.004 | 1 |
71 | 1 | 2 | UVR | H72 | H | 0.730 | 0.004 | 1 |
72 | 1 | 2 | UVR | H73 | H | 0.730 | 0.004 | 1 |
73 | 1 | 2 | UVR | H8 | H | 1.483 | 0.004 | |
74 | 1 | 2 | UVR | H91 | H | 0.746 | 0.004 | 1 |
75 | 1 | 2 | UVR | H92 | H | 0.746 | 0.004 | 1 |
76 | 1 | 2 | UVR | H93 | H | 0.746 | 0.004 | 1 |
77 | 1 | 2 | UVR | H101 | H | 0.530 | 0.004 | 1 |
78 | 1 | 2 | UVR | H102 | H | 0.530 | 0.004 | 1 |
79 | 1 | 2 | UVR | H103 | H | 0.530 | 0.004 | 1 |