============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 4 rings ring int. center anis. iso. PHE 4 1.000 -28.647 81.419 141.753 -99.200 -91.000 PHE 6 1.000 -29.486 79.422 136.912 -99.200 -91.000 PHE 17 1.000 -23.267 89.895 141.522 -99.200 -91.000 PHE 19 1.000 -12.341 84.022 137.481 -99.200 -91.000