1) The document discusses using quantum mechanical (QM)-derived chemical shifts to determine protein structures by NMR. Chemical shifts are more sensitive to structure than empirical models suggest. 2) Researchers are developing a QM-based chemical shift predictor (ProCS) and refining protein structures using ProCS and molecular dynamics simulations. This improves hydrogen bond geometries compared to X-ray structures. 3) The work aims to calculate chemical shifts for all nuclei to determine larger protein structures solely from chemical shifts, requiring millions of QM calculations. Additional constraints like SAXS may still be needed for very large proteins.