============================================================================= 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 13 1.000 -2.687 43.613 17.727 -99.200 -91.000 TYR 29 0.840 3.444 40.573 33.190 -99.200 -91.000