# Unique model identifier Model_code B # Model description Description Two-site, positive cooperativity due to the interaction between neighboring sites, same signs of binding and interaction enthalpies # Association constants Ka_names A1a A1b A2a Ka 1e5 1.05e5 1e7 # Rate constants of REVERSE reactions k_names A1a A1b A2a A2b k2 1 1 1 1 # Names of NMR-active species Species_names R LaR RLb RL2 # Names of NMR unobservable species NMR_invisible_species_names L # Chemical shifts of pure species, 1/s w0 0 100 200 300 # Relaxation rates of pure species, 1/s R2 10 10 10 10 # Heat of formation of the species, relative units # The original species is a standard state with dH=0 ! # Here I assume negative heat of binding for the first ligand # and larger heat of binding of the second ligand (due to interaction # with the previously occupied site with additional negative enthalpy) # (making dH(RL2) > 2*dH(RL)) dH 0 -1 -1 -2.5