Table 2. Relaxation Rates and the Fractions of Their Anisotropic Parts g(R_i) = 1 – R_i,min/R_i,max Computed at MHz^a.

	R1 (1/s)	R2 (1/s)	g(R1)	g(R2)
1st h.l. all	1.12 ± 0.02	1.07 ± 0.02	0.04 ± 0.01	0.022 ± 0.006
1st h.l., intra	0.63 ± 0.02	0.57 ± 0.01	0.10 ± 0.02	0.06 ± 0.01
1st h.l., inter	0.291 ± 0.002	0.287 ± 0.002	0.013 ± 0.003	0.007 ± 0.001
1st h.l., pept. H	0.206 ± 0.002	0.235 ± 0.003	0.124–0.005+0.006	0.062 ± 0.003
2nd h.l. all	0.463–0.006+0.005	0.451 ± 0.005	0.03 ± 0.01	0.013 ± 0.006
2nd h.l., intra	0.217 ± 0.004	0.211–0.003+0.004	0.03 ± 0.02	0.014 ± 0.009
2nd h.l., inter	0.224 ± 0.001	0.220 ± 0.001	0.018 ± 0.002	0.009 ± 0.001
2nd h.l., pept. H	0.0273–0.0003+0.0004	0.0257–0.0005+0.0007	0.06–0.02+0.01	0.030–0.009+0.007
water intra	0.1846 ± 0.0010	0.1836 ± 0.0008	0.005–0.003+0.004	0.003 ± 0.002
water inter	0.1304 ± 0.0003	0.1306 ± 0.0003	0.0013 ± 0.0006	0.0006 ± 0.0003
water, pept. H	0.00714 ± 0.00007	0.00763 ± 0.00009	0.063 ± 0.005	0.032 ± 0.002
bulk intra	0.176 ± 0.002	0.175 ± 0.002	0.007–0.008+0.013	0.003–0.004+0.006
bulk inter	0.1160 ± 0.0008	0.1161 ± 0.0008	0.001 ± 0.002	0.0004–0.001+0.0009
1st h.l., intra, restr.	1.73	2.40	0.28	0.14
1st h.l., inter, restr.	0.611	0.617	0.0096	0.0048
1st h.l., pept. H, restr.	0.637	1.95	0.67	0.34

^aFor the peptide system, R₁ and R₂ were computed in the PAS of the inertia tensor (β = 0). For the bulk system, axes of the coordinate system were aligned along the vertices of the simulation box. The g(R_i) were computed from the minimum and maximum values of R_i with respect to the angle β between the long axis of the peptide and B₀. The errors represent 95% confidence intervals computed with the bootstrap method. See section 4.1 for an explanation of the labels.