Table 3.

Δχ-tensor parameters for lanthanide ions in complex with LBT-DR/KE, determined on the basis of the docking structure of DR/KE and the PCS values obtained both from LBT-DR and KE signals

	Tb3+	Tm3+	Dy3+	Er3+
Δχaax	36.4 ± 1.5	−23.4 ± 1.3	21.9 ± 0.8	−10.0 ± 0.4
Δχarh	23.8 ± 0.7	−20.1 ± 0.5	20.4 ± 0.7	−9.9 ± 0.3
αb	117	108	120	119
βb	103	105	104	103
γb	7	178	28	11

^aΔχ_ax and Δχ_rh values are in 10⁻³² [m³] and error estimates were obtained by Monte–Carlo protocol using the 100 partial PCS data sets in which 30% of the input data were randomly deleted. During the Monte–Carlo analysis, the metal position was allowed to vary within a range of ±0.3 Å

^bEuler angle rotations in ZXZ convention (degrees)