============================================================================= 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 -2.706 9.211 17.850 -99.200 -91.000 TYR 27 0.840 3.298 6.333 33.406 -99.200 -91.000