============================================================================= 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 34.153 0.787 38.656 -99.200 -91.000 TYR 25 0.840 17.473 1.954 43.876 -99.200 -91.000