============================================================================= 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 20.208 17.166 22.697 -99.200 -91.000 PHE 15 1.000 -2.813 9.318 17.847 -99.200 -91.000 TYR 31 0.840 3.149 6.257 33.369 -99.200 -91.000