============================================================================= 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 -2.734 9.411 17.862 -99.200 -91.000 TYR 24 0.840 3.285 6.496 33.645 -99.200 -91.000