============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 3 rings ring int. center anis. iso. PHE 2 1.000 -7.056 46.124 26.608 -99.200 -91.000 PHE 15 1.000 -2.297 29.985 44.539 -99.200 -91.000 TYR 31 0.840 12.769 34.158 37.223 -99.200 -91.000