============================================================================= 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 54.314 73.924 1.404 -99.200 -91.000 PHE 15 1.000 59.279 56.321 27.114 -99.200 -91.000 TYR 31 0.840 63.374 49.359 11.428 -99.200 -91.000