============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 3 rings ring int. center anis. iso. PHE 2 1.000 112.591 4.838 57.499 -99.200 -91.000 PHE 15 1.000 106.857 14.374 34.409 -99.200 -91.000 TYR 31 0.840 121.710 5.827 36.388 -99.200 -91.000