============================================================================= 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 0.058 55.391 -7.025 -99.200 -91.000 TYR 25 0.840 5.093 41.500 1.150 -99.200 -91.000