============================================================================= 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 8 1.000 118.733 13.645 17.379 -99.200 -91.000 TYR 24 0.840 119.142 28.373 26.826 -99.200 -91.000