Table 1.

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

	Tb3+	Tm3+	Dy3+	Er3+
Δχaax	40.8 ± 1.1	−27.2 ± 1.3	28.6 ± 1.5	−10.4 ± 0.3
Δχarh	20.7 ± 0.9	−18.9 ± 1.0	21.7 ± 1.0	−9.1 ± 0.2
αb	119	114	124	114
βb	106	107	108	107
γb	15	2	37	14

^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)