Parameters determined by fitting of chemical shifts to equations (6) & (7) for and BH3I-1 system.

Most of the residues fitted well to single site binding model with a few residues fitted better to two site sequential model. Initial perturbation rate (slope), binding affinity and magnitude of perturbation () are listed below. For model selection, F-test and Akaike's criteria based analysis were performed. F value for F-test is chosen based on the degree of freedom (the number of parameters present in the model, i.e. 3 and 5 for single and two site, respectively) and level of significance (). The F or F was found to be 5.049. FF suggests simpler model (i.e. single site) cannot explain the experimental data satisfactorily. The null hypothesis is rejected and the complex two site binding model is chosen. Akaike's information criteria was calculated for both models, the model with lower value represents the data better. The non-binding site residues are represented by the residues that are 10 away from the conventional BH3 binding groove residues.