With this form you can predict 1H, 13C and 15N chemical shifts for your favorite protein using only its PDB file as input.
ShiftX uses a unique semi-empirical approach to calculate protein chemical shifts. Tests conducted on 47 different proteins indicate that program is able to achieve correlation
coefficients between observed and calculated shifts of 0.911 (HA), 0.980 (CA), 0.996 (CB), 0.863 (CO), 0.909 (N), 0.741 (HN) and 0.907 (side H) with an
RMS error of 0.23, 0.98, 1.10, 1.16, 2.43, 0.49, 0.30 ppm respectively.
Please cite the following: Stephen Neal, Alex M. Nip, Haiyan Zhang,
David S. Wishart (2003) "Rapid and accurate calculation of protein 1H,
13C and 15N chemical shifts" Journal of Biomolecular NMR, 26:215-240.