============================================================================= 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 -2.205 29.896 44.549 -99.200 -91.000 TYR 25 0.840 12.523 33.936 37.153 -99.200 -91.000