Beta-proline homodimer made of 5-(2-(trifluoromethyl)phenyl)pyrrolidine-2,4-dicarboxylate monomeric units
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 1 | UVR | C | C | 171.831 | 0.009 | |
2 | 1 | 1 | UVR | C1 | C | 136.682 | 0.009 | |
3 | 1 | 1 | UVR | C21 | C | 128.027 | 0.009 | |
4 | 1 | 1 | UVR | C31 | C | 125.820 | 0.009 | |
5 | 1 | 1 | UVR | C4 | C | 128.157 | 0.009 | |
6 | 1 | 1 | UVR | C32 | C | 131.987 | 0.009 | |
7 | 1 | 1 | UVR | C22 | C | 129.169 | 0.009 | |
8 | 1 | 1 | UVR | CA | C | 61.326 | 0.009 | |
9 | 1 | 1 | UVR | CB | C | 47.537 | 0.009 | |
10 | 1 | 1 | UVR | CD | C | 60.034 | 0.009 | |
11 | 1 | 1 | UVR | CE | C | 172.420 | 0.009 | |
12 | 1 | 1 | UVR | CG | C | 34.618 | 0.009 | |
13 | 1 | 1 | UVR | CZ | C | 52.045 | 0.009 | |
14 | 1 | 1 | UVR | H3 | H | 7.723 | 0.004 | |
15 | 1 | 1 | UVR | H4 | H | 7.445 | 0.004 | |
16 | 1 | 1 | UVR | H5 | H | 7.603 | 0.004 | |
17 | 1 | 1 | UVR | H6 | H | 7.673 | 0.004 | |
18 | 1 | 1 | UVR | HA | H | 4.597 | 0.004 | |
19 | 1 | 1 | UVR | HB | H | 3.291 | 0.004 | |
20 | 1 | 1 | UVR | HD | H | 3.856 | 0.004 | |
21 | 1 | 1 | UVR | HG1 | H | 2.471 | 0.004 | |
22 | 1 | 1 | UVR | HG2 | H | 2.422 | 0.004 | |
23 | 1 | 1 | UVR | HZ1 | H | 3.668 | 0.004 | 1 |
24 | 1 | 1 | UVR | HZ2 | H | 3.668 | 0.004 | 1 |
25 | 1 | 1 | UVR | HZ3 | H | 3.668 | 0.004 | 1 |
26 | 1 | 2 | UVR | C | C | 171.282 | 0.009 | |
27 | 1 | 2 | UVR | C1 | C | 136.873 | 0.009 | |
28 | 1 | 2 | UVR | C21 | C | 126.868 | 0.009 | |
29 | 1 | 2 | UVR | C31 | C | 125.436 | 0.009 | |
30 | 1 | 2 | UVR | C4 | C | 126.947 | 0.009 | |
31 | 1 | 2 | UVR | C32 | C | 132.060 | 0.009 | |
32 | 1 | 2 | UVR | C22 | C | 128.051 | 0.009 | |
33 | 1 | 2 | UVR | CA | C | 61.857 | 0.009 | |
34 | 1 | 2 | UVR | CB | C | 46.611 | 0.009 | |
35 | 1 | 2 | UVR | CD | C | 59.292 | 0.009 | |
36 | 1 | 2 | UVR | CE | C | 171.382 | 0.009 | |
37 | 1 | 2 | UVR | CG | C | 31.649 | 0.009 | |
38 | 1 | 2 | UVR | CZ | C | 52.585 | 0.009 | |
39 | 1 | 2 | UVR | H3 | H | 7.527 | 0.004 | |
40 | 1 | 2 | UVR | H4 | H | 7.228 | 0.004 | |
41 | 1 | 2 | UVR | H5 | H | 7.386 | 0.004 | |
42 | 1 | 2 | UVR | H6 | H | 7.761 | 0.004 | |
43 | 1 | 2 | UVR | HA | H | 5.080 | 0.004 | |
44 | 1 | 2 | UVR | HB | H | 3.014 | 0.004 | |
45 | 1 | 2 | UVR | HD | H | 3.968 | 0.004 | |
46 | 1 | 2 | UVR | HG1 | H | 2.293 | 0.004 | |
47 | 1 | 2 | UVR | HG2 | H | 1.078 | 0.004 | |
48 | 1 | 2 | UVR | HZ1 | H | 3.816 | 0.004 | 1 |
49 | 1 | 2 | UVR | HZ2 | H | 3.816 | 0.004 | 1 |
50 | 1 | 2 | UVR | HZ3 | H | 3.816 | 0.004 | 1 |
51 | 1 | 2 | UVR | CM1 | C | 74.072 | 0.009 | |
52 | 1 | 2 | UVR | CM2 | C | 46.327 | 0.009 | |
53 | 1 | 2 | UVR | CM3 | C | 23.220 | 0.009 | |
54 | 1 | 2 | UVR | CM4 | C | 33.697 | 0.009 | |
55 | 1 | 2 | UVR | CM5 | C | 30.714 | 0.009 | |
56 | 1 | 2 | UVR | CM6 | C | 38.892 | 0.009 | |
57 | 1 | 2 | UVR | CM7 | C | 21.525 | 0.009 | |
58 | 1 | 2 | UVR | CM8 | C | 26.179 | 0.009 | |
59 | 1 | 2 | UVR | CM9 | C | 20.398 | 0.009 | |
60 | 1 | 2 | UVR | CM10 | C | 16.261 | 0.009 | |
61 | 1 | 2 | UVR | H1 | H | 4.092 | 0.004 | |
62 | 1 | 2 | UVR | H2 | H | 0.949 | 0.004 | |
63 | 1 | 2 | UVR | H31 | H | 1.445 | 0.004 | |
64 | 1 | 2 | UVR | H32 | H | 0.765 | 0.004 | |
65 | 1 | 2 | UVR | H41 | H | 1.444 | 0.004 | |
66 | 1 | 2 | UVR | H42 | H | 0.566 | 0.004 | |
67 | 1 | 2 | UVR | HM5 | H | 1.047 | 0.004 | |
68 | 1 | 2 | UVR | H61 | H | 0.512 | 0.004 | |
69 | 1 | 2 | UVR | H62 | H | -0.231 | 0.004 | |
70 | 1 | 2 | UVR | H71 | H | 0.609 | 0.004 | 1 |
71 | 1 | 2 | UVR | H72 | H | 0.609 | 0.004 | 1 |
72 | 1 | 2 | UVR | H73 | H | 0.609 | 0.004 | 1 |
73 | 1 | 2 | UVR | H8 | H | 1.508 | 0.004 | |
74 | 1 | 2 | UVR | H91 | H | 0.726 | 0.004 | 1 |
75 | 1 | 2 | UVR | H92 | H | 0.726 | 0.004 | 1 |
76 | 1 | 2 | UVR | H93 | H | 0.726 | 0.004 | 1 |
77 | 1 | 2 | UVR | H101 | H | 0.543 | 0.004 | 1 |
78 | 1 | 2 | UVR | H102 | H | 0.543 | 0.004 | 1 |
79 | 1 | 2 | UVR | H103 | H | 0.543 | 0.004 | 1 |