============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 2 rings ring int. center anis. iso. PHE 4 1.000 -15.070 27.016 31.199 -99.200 -91.000 TYR 10 0.840 -8.210 27.246 19.665 -99.200 -91.000