============================================================================= 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 7 1.000 39.410 78.601 42.884 -99.200 -91.000 PHE 9 1.000 39.975 77.240 47.953 -99.200 -91.000 PHE 20 1.000 28.480 85.889 47.218 -99.200 -91.000 PHE 22 1.000 23.478 82.420 46.923 -99.200 -91.000