============================================================================= 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 21.178 43.956 -4.160 -99.200 -91.000 PHE 7 1.000 13.027 46.116 0.640 -99.200 -91.000 PHE 20 1.000 17.853 62.491 16.588 -99.200 -91.000 TYR 36 0.840 32.687 56.658 9.198 -99.200 -91.000