The experimental relaxation data obtained from NMR measurements are interpreted on a residue-by-residue basis and they are commonly related to motional parameters using several approaches ( 99JPCB83 ):
- Model-free approach. ( 82JACS4546 and 82JACS4559 ). This approach allows for a separation between the relatively slow (ns) overall reorientational motion and the relatively fast (ps-ns) internal motions. The equations for the relaxation rates are fitted using three parameters, namely:
- The generalized order parameter (S2) that describes the degree of spatial restriction of the bond vector in the molecular frame, which can take on a value between o and 1, corresponding to complete isotropic disorder and fixed orientation, respectively, of this relevant vector
- The overall molecular rotational correlation time (tc)
- The effective correlation time for internal motion (ti).
C(t)=[ S2 + (1-S2) exp(-t/ti) ] exp(-t/tc) Some drawbacks: loss of information on nano-second time-scale motions and application on anisotropic molecules. However, novel parametrization incorporating motional restrictions occurring on relatively slow and fast time scales have been reported:
Spectral density mapping. ( 92BIO8571 ) Six independent relaxation rates are required to determine the spectral density J(w), at the five frequencies 0, wx, wH-wx, wH, and wH+wx and the proton-proton dipolar term. Reduced spectral density mapping. ( 95JB153 , 00JB83-18 , 01JMR32-151 ) Three relaxation rates are required corresponding to the measurement of T1, T2 and heteronuclear NOEs. Some examples in: 98JMB221-283 and 01BIO2743 . A Bayesian Statistical Method ( 99JMR408-139 ) Other Methods