Solution NMR structure of designed peptide BH21 (TMIEDPEAGHFHTSSA)
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 1 | THR | H | H | 8.295 | ||
2 | 1 | 1 | THR | HA | H | 4.211 | ||
3 | 1 | 1 | THR | HB | H | 4.138 | ||
4 | 1 | 1 | THR | CA | C | 62.284 | ||
5 | 1 | 1 | THR | CB | C | 69.733 | ||
6 | 1 | 1 | THR | N | N | 120.754 | ||
7 | 1 | 2 | MET | H | H | 8.578 | ||
8 | 1 | 2 | MET | HA | H | 4.472 | ||
9 | 1 | 2 | MET | HB2 | H | 1.971 | ||
10 | 1 | 2 | MET | HB3 | H | 1.971 | ||
11 | 1 | 2 | MET | CA | C | 55.399 | ||
12 | 1 | 2 | MET | CB | C | 32.622 | ||
13 | 1 | 2 | MET | N | N | 123.724 | ||
14 | 1 | 3 | ILE | H | H | 8.292 | ||
15 | 1 | 3 | ILE | HA | H | 4.086 | ||
16 | 1 | 3 | ILE | HB | H | 1.789 | ||
17 | 1 | 3 | ILE | CA | C | 61.059 | ||
18 | 1 | 3 | ILE | CB | C | 38.489 | ||
19 | 1 | 3 | ILE | N | N | 123.393 | ||
20 | 1 | 4 | GLU | H | H | 8.533 | ||
21 | 1 | 4 | GLU | HA | H | 4.295 | ||
22 | 1 | 4 | GLU | HB2 | H | 1.903 | ||
23 | 1 | 4 | GLU | HB3 | H | 1.903 | ||
24 | 1 | 4 | GLU | CA | C | 55.577 | ||
25 | 1 | 4 | GLU | CB | C | 28.930 | ||
26 | 1 | 4 | GLU | N | N | 125.155 | ||
27 | 1 | 5 | ASP | H | H | 8.623 | ||
28 | 1 | 5 | ASP | HA | H | 4.910 | ||
29 | 1 | 5 | ASP | HB2 | H | 2.675 | ||
30 | 1 | 5 | ASP | HB3 | H | 2.675 | ||
31 | 1 | 5 | ASP | CA | C | 51.284 | ||
32 | 1 | 5 | ASP | CB | C | 39.133 | ||
33 | 1 | 5 | ASP | N | N | 121.884 | ||
34 | 1 | 6 | PRO | HA | H | 4.348 | ||
35 | 1 | 6 | PRO | HB2 | H | 1.922 | ||
36 | 1 | 6 | PRO | HB3 | H | 1.922 | ||
37 | 1 | 6 | PRO | CA | C | 63.831 | ||
38 | 1 | 6 | PRO | CB | C | 32.034 | ||
39 | 1 | 7 | GLU | H | H | 8.370 | ||
40 | 1 | 7 | GLU | HA | H | 4.232 | ||
41 | 1 | 7 | GLU | HB2 | H | 1.933 | ||
42 | 1 | 7 | GLU | HB3 | H | 1.933 | ||
43 | 1 | 7 | GLU | CA | C | 55.935 | ||
44 | 1 | 7 | GLU | CB | C | 28.338 | ||
45 | 1 | 7 | GLU | N | N | 118.773 | ||
46 | 1 | 8 | ALA | H | H | 8.049 | ||
47 | 1 | 8 | ALA | HA | H | 4.193 | ||
48 | 1 | 8 | ALA | HB1 | H | 1.374 | ||
49 | 1 | 8 | ALA | HB2 | H | 1.374 | ||
50 | 1 | 8 | ALA | HB3 | H | 1.374 | ||
51 | 1 | 8 | ALA | CA | C | 53.014 | ||
52 | 1 | 8 | ALA | CB | C | 18.946 | ||
53 | 1 | 8 | ALA | N | N | 124.295 | ||
54 | 1 | 9 | GLY | H | H | 8.378 | ||
55 | 1 | 9 | GLY | HA2 | H | 3.811 | ||
56 | 1 | 9 | GLY | HA3 | H | 3.811 | ||
57 | 1 | 9 | GLY | CA | C | 45.275 | ||
58 | 1 | 9 | GLY | N | N | 107.847 | ||
59 | 1 | 10 | HIS | H | H | 8.222 | ||
60 | 1 | 10 | HIS | HA | H | 4.612 | ||
61 | 1 | 10 | HIS | HB2 | H | 3.044 | ||
62 | 1 | 10 | HIS | HB3 | H | 3.044 | ||
63 | 1 | 10 | HIS | CA | C | 55.015 | ||
64 | 1 | 10 | HIS | CB | C | 28.795 | ||
65 | 1 | 10 | HIS | N | N | 117.832 | ||
66 | 1 | 11 | PHE | H | H | 8.361 | ||
67 | 1 | 11 | PHE | HA | H | 4.560 | ||
68 | 1 | 11 | PHE | HB2 | H | 2.960 | ||
69 | 1 | 11 | PHE | HB3 | H | 2.960 | ||
70 | 1 | 11 | PHE | CA | C | 57.860 | ||
71 | 1 | 11 | PHE | CB | C | 39.609 | ||
72 | 1 | 11 | PHE | N | N | 121.264 | ||
73 | 1 | 12 | HIS | H | H | 8.555 | ||
74 | 1 | 12 | HIS | HA | H | 4.703 | ||
75 | 1 | 12 | HIS | HB2 | H | 3.116 | ||
76 | 1 | 12 | HIS | HB3 | H | 3.116 | ||
77 | 1 | 12 | HIS | CA | C | 55.061 | ||
78 | 1 | 12 | HIS | CB | C | 29.181 | ||
79 | 1 | 12 | HIS | N | N | 121.056 | ||
80 | 1 | 13 | THR | H | H | 8.339 | ||
81 | 1 | 13 | THR | HA | H | 4.314 | ||
82 | 1 | 13 | THR | HB | H | 4.198 | ||
83 | 1 | 13 | THR | CA | C | 61.782 | ||
84 | 1 | 13 | THR | CB | C | 69.881 | ||
85 | 1 | 13 | THR | N | N | 116.567 | ||
86 | 1 | 14 | SER | H | H | 8.558 | ||
87 | 1 | 14 | SER | HA | H | 4.430 | ||
88 | 1 | 14 | SER | HB2 | H | 3.829 | ||
89 | 1 | 14 | SER | HB3 | H | 3.829 | ||
90 | 1 | 14 | SER | CA | C | 58.390 | ||
91 | 1 | 14 | SER | CB | C | 63.688 | ||
92 | 1 | 14 | SER | N | N | 118.589 | ||
93 | 1 | 15 | SER | H | H | 8.602 | ||
94 | 1 | 15 | SER | HA | H | 4.496 | ||
95 | 1 | 15 | SER | HB2 | H | 3.847 | ||
96 | 1 | 15 | SER | HB3 | H | 3.847 | ||
97 | 1 | 15 | SER | CA | C | 58.275 | ||
98 | 1 | 15 | SER | CB | C | 63.707 | ||
99 | 1 | 15 | SER | N | N | 118.641 | ||
100 | 1 | 16 | ALA | H | H | 8.405 | ||
101 | 1 | 16 | ALA | HA | H | 4.249 | ||
102 | 1 | 16 | ALA | HB1 | H | 1.358 | ||
103 | 1 | 16 | ALA | HB2 | H | 1.358 | ||
104 | 1 | 16 | ALA | HB3 | H | 1.358 | ||
105 | 1 | 16 | ALA | CA | C | 52.442 | ||
106 | 1 | 16 | ALA | CB | C | 19.321 | ||
107 | 1 | 16 | ALA | N | N | 126.989 |