Table 2. Coefficient of correlation between RCI and MD RMSF for different combinations of random coil values and neighboring residue correction.

Table 2. Coefficient of correlation between RCI and MD RMSF for different combinations of random coil values and neighboring residue correction.

Random Coil Value	Sequential correction	Correlation Coefficient
Schwarzinger (1)	Schwarzinger (2)	0.81
Schwarzinger (1)	Wang (3)	0.79
Wang (3)	Schwarzinger (2)	0.79
Wang (3)	Wang (3)	0.80
Wishart (4)	Schwarzinger (2)	0.79
Wishart (4)	Wang (3)	0.81
Lukin (5)	Schwarzinger (2)	0.80
Lukin (5)	Wang (3)	0.80

Reference chemical shifts published by Lukin et al. lack proton chemical shifts and were supplemented with H and NH chemical shifts obtained by Wang and Jardetzky (3)

1. Schwarzinger, S., Kroon, G.J., Foss, T.R., Chung, J., Wright, P.E. and Dyson, H.J. (2001) Sequence-dependent correction of random coil NMR chemical shifts Journal of the American Chemical Society, 123, 2970-2978.

2. Schwarzinger, S., Kroon, G.J., Foss, T.R., Wright, P.E. and Dyson, H.J. (2000) Random coil chemical shifts in acidic 8 M urea: implementation of random coil shift data in NMRView J Biomol NMR, 18, 43-48.

3. Wang, Y. and Jardetzky, O. (2002) Investigation of the neighboring residue effects on protein chemical shifts J Am Chem Soc, 124, 14075-14084.

4. Wishart, D.S., Bigam, C.G., Holm, A., Hodges, R.S. and Sykes, B.D. (1995) 1H, 13C and 15N random coil NMR chemical shifts of the common amino acids. I. Investigations of nearest-neighbor effects J Biomol NMR, 5, 67-81.

5. Lukin, J.A., Gove, A.P., Talukdar, S.N. and Ho, C. (1997) Automated probabilistic method for assigning backbone resonances of (C-13,N-15)-labeled proteins Journal of Biomolecular Nmr, 9, 151-166.