Protein chemical shift

Protein chemical shift perturbation — Unshifted Shifted 32... 

Figure 5.3 (A) COST versus the RMSD (A) to the target pose for mFABP/1 obtained with SDM= 0.50 and with the predicted protein chemical shifts set to the corresponding BMRB average values. (B) Superposition of target pose and the minimum cost pose (dark gray) from (A).

Zhang, H., Neal, S. and Wishart, D. S. (2003). RefDB a database of uniformly referenced protein chemical shifts. J. Biomol. NMR 25,173-195. 

Wishart, D. S and Nip, A. M. (1998) Protein chemical shift analysis a practical guide, Biochemistry and Cell Biology 76, 153-163. 

In models that are used for protein chemical shift prediction (see... 

Tugarinov V, Muhandiram R, Ayed A et al (2002) Four-dimensional NMR spectroscopy of a 723-residue protein chemical shift assignments and secondary structure of malate synthase G. J Am Chem Soc 124 10025-10035... 

Using triple resonance and total correlation spectroscopy, Liu et have assigned the H spectra of mutants of horse heart cytochrome c in both the diamagnetic and paramagnetic (S = 1/2) forms of the protein. Chemical shifts of the wild type and mutant proteins were used as a basis for refining the g-tensors. 

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