============================================================================= 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 -2.483 9.257 17.588 -99.200 -91.000 TYR 25 0.840 3.522 6.490 33.405 -99.200 -91.000