Fig. 3.

Δχ-tensor determination for LBT-Grb2. a Orientation of the principal axes of the Δχ-tensors of Dy³⁺, Tb³⁺, Er³⁺, and Tm³⁺ in complex with LBT-Grb2, visualized in Sanson-Flamsteed projection. The plots show the points where the principal axes of the Δχ-tensor penetrate the sphere. The convention |z| > |y| > |x| was used to name the axes, which occasionally caused swapping between the z- and y-axes of the tensors when their magnitudes were similar. One hundred sets of plots represent the results of the Monte-Carlo analysis using the 100 partial PCS data sets in which 30% of the input data were randomly deleted. b–e Comparison between experimental and back-calculated PCSs of backbone amide protons observed in LBT-Grb2 in the presence of Dy³⁺ (b), Tb³⁺ (c), Er³⁺ (d), and Tm³⁺ (e). The ideal correlations are indicated