From the Wikipedia entry on the Protein Data Bank (PDB) (emphasis mine):
Most structures are determined by X-ray diffraction, but about 10% of structures are determined by protein NMR. When using X-ray diffraction, approximations of the coordinates of the atoms of the protein are obtained, whereas using NMR, the distance between pairs of atoms of the protein is estimated. The final conformation of the protein is obtained from NMR by solving a distance geometry problem.
I am currently working on an algorithm to solve distance geometry problems in the context of molecular conformations. I would prefer to test this algorithm on real data, so does the PDB contain information about the distances between pairs of atoms that were estimated from NMR spectroscopy measurements?
I checked the PDB file for the 2KB7 protein, but I only found the xyz coordinates of the atoms obtained after solving the distance geometry problem. Is it possible to get access to the estimated distances that were used to generate these conformations?