============================================================================= 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 2 1.000 17.135 -25.398 -27.453 -99.200 -91.000 PHE 7 1.000 19.910 -32.140 -21.472 -99.200 -91.000 PHE 20 1.000 5.246 -32.990 -4.052 -99.200 -91.000 TYR 35 0.840 3.577 -18.094 -11.863 -99.200 -91.000