Residue selection

In this section, the user selects an appropriate set of residues. ShereKhan's suggestion is based on the calculation of the α-values. If data at several B0 fields are provided, ShereKhan performs the following analysis of the exchange regimes [5]:

B0, high/loware the field strength values for the highest and lowest fields defined, and
Rex, high/loware the exchange terms for the highest and lowest fields defined.

The calculated α-values can be used to estimate the exchange regime:

0 ≤ α < 1 slow exchange

1 < α ≤ 2 fast exchange


[5]Millet, O. et al. (2000) The static magnetic field dependence of chemical exchange linebroadening defines the NMR chemical shift time scale. J. Am. Chem. Soc., 122, 2867–2877.