Figure 1. Experimental measurement of the RDC, PRE, and PCS paramagnetic effects with two – HSQC one‐dimensional undecoupled spectra. The figure shows the diamagnetic and paramagnetic antiphase doublets. RDC is measured as the difference in line splitting. PRE can be determined from the differential line broadening. PCS is measured as the chemical shift difference.

Figure 2. Flow diagram of a HADDOCK run.

Figure 3. Screenshots of the guru web interface for the preparation of the docking between E2A and HPr.