============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 6 rings ring int. center anis. iso. PHE 4 1.000 -2.432 -1.099 16.216 -99.200 -91.000 TYR 17 0.840 17.216 -9.783 19.799 -99.200 -91.000 TYR 46 0.840 28.401 -22.527 9.650 -99.200 -91.000 PHE 53 1.000 21.675 -14.295 12.392 -99.200 -91.000 TYR 76 0.840 24.346 -2.066 2.595 -99.200 -91.000 TYR 118 0.840 20.938 -8.396 15.815 -99.200 -91.000