bmst000264 Theoretical Data      Entry STAR file: bmst000264.str      Generated Data for: L_cystine_3774

Natural Isotopic formula weight: 240.3004800000

L_cystine_3774_opt.pdb

Theoretically calculated chemical shifts

Shift IDAtom IDValue
1C155.126
2C242.917
3C3178.641
4N439.531
5C942.919
6C1055.129
7C11178.641
8N1239.529
9H154.709
10H163.958
11H174.277
12H181.722
13H191.068
14H206.426
15H213.957
16H224.278
17H234.709
18H241.723
19H251.068
20H266.426