============================================================================= 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 9 1.000 15.267 22.677 113.537 -99.200 -91.000 TYR 25 0.840 24.338 31.426 124.742 -99.200 -91.000