============================================================================= 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 21.828 15.526 22.139 -99.200 -91.000 PHE 15 1.000 -2.663 9.181 17.376 -99.200 -91.000 TYR 31 0.840 3.808 6.557 33.385 -99.200 -91.000