============================================================================= 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 13 1.000 2.661 2.872 -25.547 -99.200 -91.000 PHE 16 1.000 6.340 -1.987 -27.067 -99.200 -91.000 TYR 27 0.840 9.018 -16.871 -33.835 -99.200 -91.000 TYR 32 0.840 5.380 -26.738 -28.860 -99.200 -91.000 TYR 33 0.840 1.154 -17.503 -33.042 -99.200 -91.000 PHE 36 1.000 4.047 -16.719 -27.800 -99.200 -91.000