============================================================================= 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 -2.283 9.952 17.545 -99.200 -91.000 TYR 25 0.840 3.889 6.867 32.886 -99.200 -91.000