bmst000297 Theoretical Data      Entry STAR file: bmst000297.str      Generated Data for: alpha_D_glucose_1_phosphate_13622

Natural Isotopic formula weight: 260.1357810000

alpha_D_glucose_1_phosphate_13622_opt.pdb

Theoretically calculated chemical shifts

Shift IDAtom IDValue
1C195.998
2C270.647
3C372.691
4C468.464
5C586.687
6C655.476
7P133.164
8H176.564
9H184.347
10H194.975
11H204.491
12H214.791
13H224.199
14H235.494
15H243.581
16H250.414
17H260.471
18H272.818
19H283.683
20H294.311