Fig. 12 | Journal of Biomolecular NMR

Fig. 12

From: On the use of 3J-coupling NMR data to derive structural information on proteins

Fig. 12

Local-elevation 3JHαHβ2-coupling (dashed line) and 3JHαHβ3-coupling (dotted line) restraining potential energies and their sum (solid line) as function of the side-chain χ1-angle for residue Asp 101, built-up during the 3J-coupling time-averaging local-elevation restraining (to all 213 experimental 3J-coupling values) MD simulation MD_2VB1_bb1 + bb2 + sc1 + sc2 starting from the 2VB1 X-ray structure

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