bmst000195 Theoretical Data      Entry STAR file: bmst000195.str      Generated Data for: L_selenomethionine_682499

Natural Isotopic formula weight: 196.1063400000

L_selenomethionine_682499_opt.pdb

Theoretically calculated chemical shifts

Shift IDAtom IDValue
1N138.622
2C259.528
3C3187.879
4C634.612
5C731.796
6C913.562
7H102.309
8H110.783
9H124.320
10H136.562
11H142.523
12H153.201
13H163.278
14H174.191
15H182.963
16H192.929
17H202.432