============================================================================= 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 11 1.000 45.168 30.491 36.063 -99.200 -91.000 TYR 27 0.840 55.240 36.612 48.294 -99.200 -91.000