============================================================================= 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 11 1.000 67.093 -47.477 -5.949 -99.200 -91.000 TYR 27 0.840 55.496 -42.280 5.275 -99.200 -91.000