Beta-proline alternating heterodimer made of 5-(2-(trifluoromethyl)phenyl)pyrrolidine-2,4-dicarboxylate monomeric units, E conformation
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 1 | UVR | C | C | 173.347 | 0.009 | |
2 | 1 | 1 | UVR | C1 | C | 134.484 | 0.009 | |
3 | 1 | 1 | UVR | C21 | C | 128.073 | 0.009 | |
4 | 1 | 1 | UVR | C31 | C | 125.566 | 0.009 | |
5 | 1 | 1 | UVR | C4 | C | 127.096 | 0.009 | |
6 | 1 | 1 | UVR | C32 | C | 131.980 | 0.009 | |
7 | 1 | 1 | UVR | C22 | C | 128.844 | 0.009 | |
8 | 1 | 1 | UVR | CA | C | 63.103 | 0.009 | |
9 | 1 | 1 | UVR | CB | C | 45.652 | 0.009 | |
10 | 1 | 1 | UVR | CD | C | 59.853 | 0.009 | |
11 | 1 | 1 | UVR | CE | C | 172.204 | 0.009 | |
12 | 1 | 1 | UVR | CG | C | 35.967 | 0.009 | |
13 | 1 | 1 | UVR | CZ | C | 52.067 | 0.009 | |
14 | 1 | 1 | UVR | H3 | H | 7.693 | 0.004 | |
15 | 1 | 1 | UVR | H4 | H | 7.382 | 0.004 | |
16 | 1 | 1 | UVR | H5 | H | 7.141 | 0.004 | |
17 | 1 | 1 | UVR | H6 | H | 7.319 | 0.004 | |
18 | 1 | 1 | UVR | HA | H | 4.401 | 0.004 | |
19 | 1 | 1 | UVR | HB | H | 3.197 | 0.004 | |
20 | 1 | 1 | UVR | HD | H | 3.981 | 0.004 | |
21 | 1 | 1 | UVR | HG1 | H | 2.551 | 0.004 | |
22 | 1 | 1 | UVR | HG2 | H | 2.282 | 0.004 | |
23 | 1 | 1 | UVR | HZ1 | H | 3.722 | 0.004 | 1 |
24 | 1 | 1 | UVR | HZ2 | H | 3.722 | 0.004 | 1 |
25 | 1 | 1 | UVR | HZ3 | H | 3.722 | 0.004 | 1 |
26 | 1 | 2 | UVR | C | C | 171.013 | 0.009 | |
27 | 1 | 2 | UVR | C1 | C | 137.183 | 0.009 | |
28 | 1 | 2 | UVR | C21 | C | 126.918 | 0.009 | |
29 | 1 | 2 | UVR | C31 | C | 125.273 | 0.009 | |
30 | 1 | 2 | UVR | C4 | C | 126.409 | 0.009 | |
31 | 1 | 2 | UVR | C32 | C | 132.276 | 0.009 | |
32 | 1 | 2 | UVR | C22 | C | 128.034 | 0.009 | |
33 | 1 | 2 | UVR | CA | C | 62.047 | 0.009 | |
34 | 1 | 2 | UVR | CB | C | 47.163 | 0.009 | |
35 | 1 | 2 | UVR | CD | C | 60.293 | 0.009 | |
36 | 1 | 2 | UVR | CE | C | 170.903 | 0.009 | |
37 | 1 | 2 | UVR | CG | C | 32.903 | 0.009 | |
38 | 1 | 2 | UVR | CZ | C | 52.411 | 0.009 | |
39 | 1 | 2 | UVR | H3 | H | 7.507 | 0.004 | |
40 | 1 | 2 | UVR | H4 | H | 7.183 | 0.004 | |
41 | 1 | 2 | UVR | H5 | H | 6.988 | 0.004 | |
42 | 1 | 2 | UVR | H6 | H | 7.044 | 0.004 | |
43 | 1 | 2 | UVR | HA | H | 5.518 | 0.004 | |
44 | 1 | 2 | UVR | HB | H | 3.366 | 0.004 | |
45 | 1 | 2 | UVR | HD | H | 4.640 | 0.004 | |
46 | 1 | 2 | UVR | HG1 | H | 2.611 | 0.004 | |
47 | 1 | 2 | UVR | HG2 | H | 2.424 | 0.004 | |
48 | 1 | 2 | UVR | HZ1 | H | 3.695 | 0.004 | 1 |
49 | 1 | 2 | UVR | HZ2 | H | 3.695 | 0.004 | 1 |
50 | 1 | 2 | UVR | HZ3 | H | 3.695 | 0.004 | 1 |
51 | 1 | 2 | UVR | CM1 | C | 74.087 | 0.009 | |
52 | 1 | 2 | UVR | CM2 | C | 46.275 | 0.009 | |
53 | 1 | 2 | UVR | CM3 | C | 23.121 | 0.009 | |
54 | 1 | 2 | UVR | CM4 | C | 33.681 | 0.009 | |
55 | 1 | 2 | UVR | CM5 | C | 30.680 | 0.009 | |
56 | 1 | 2 | UVR | CM6 | C | 38.776 | 0.009 | |
57 | 1 | 2 | UVR | CM7 | C | 21.500 | 0.009 | |
58 | 1 | 2 | UVR | CM8 | C | 26.019 | 0.009 | |
59 | 1 | 2 | UVR | CM9 | C | 20.446 | 0.009 | |
60 | 1 | 2 | UVR | CM10 | C | 15.507 | 0.009 | |
61 | 1 | 2 | UVR | H1 | H | 4.040 | 0.004 | |
62 | 1 | 2 | UVR | H2 | H | 0.908 | 0.004 | |
63 | 1 | 2 | UVR | H31 | H | 1.431 | 0.004 | |
64 | 1 | 2 | UVR | H32 | H | 0.744 | 0.004 | |
65 | 1 | 2 | UVR | H41 | H | 1.423 | 0.004 | |
66 | 1 | 2 | UVR | H42 | H | 0.540 | 0.004 | |
67 | 1 | 2 | UVR | HM5 | H | 1.001 | 0.004 | |
68 | 1 | 2 | UVR | H61 | H | 0.465 | 0.004 | |
69 | 1 | 2 | UVR | H62 | H | -0.353 | 0.004 | |
70 | 1 | 2 | UVR | H71 | H | 0.591 | 0.004 | 1 |
71 | 1 | 2 | UVR | H72 | H | 0.591 | 0.004 | 1 |
72 | 1 | 2 | UVR | H73 | H | 0.591 | 0.004 | 1 |
73 | 1 | 2 | UVR | H8 | H | 1.494 | 0.004 | |
74 | 1 | 2 | UVR | H91 | H | 0.717 | 0.004 | 1 |
75 | 1 | 2 | UVR | H92 | H | 0.717 | 0.004 | 1 |
76 | 1 | 2 | UVR | H93 | H | 0.717 | 0.004 | 1 |
77 | 1 | 2 | UVR | H101 | H | 0.475 | 0.004 | 1 |
78 | 1 | 2 | UVR | H102 | H | 0.475 | 0.004 | 1 |
79 | 1 | 2 | UVR | H103 | H | 0.475 | 0.004 | 1 |