Dear Sirs and Mesdames,

I am fitting my data with M61 model with relax. There is a somehow loosely defined canonical site in the protein, for which we know approximately the exchange parameters. However, there are more residues showing relaxation dispersion profiles and I would like to know if these residues could also belong to the canonical site. To address this problem, I have implemented a simple jackknifing procedure which precedes the fitting. Unfortunately, I very often encounter a situation where unrealistically high phi_ex values are fitted, resulting in very low exchange rates. I would like to restrict the phi_ex/k_ex values (either to a constant or to an interval of values) and compare the fit results manually. However, I was not able to find in the Relax tutorial if such a function exists for R1rho relaxation dispersion models (I am using scripts to run Relax).

Furthermore, I have encountered sometimes a situation where a flat line is fit to a data clearly showing relaxation dispersion, which is higher that the set INSIGNIFICANCE (I assume phi_ex is set to 0). Is there any explanation for that?

Thank you very much in advance and I apologize if my formulation was not very clear (I am a biologist and just relatively recently got into this stuff).


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