============================================================================= 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 12.643 66.253 72.258 -99.200 -91.000 TYR 27 0.840 22.768 76.328 61.655 -99.200 -91.000