============================================================================= 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 10 1.000 9.887 27.000 -3.553 -99.200 -91.000 TYR 25 0.840 17.293 11.453 -0.547 -99.200 -91.000