============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 5 rings ring int. center anis. iso. HIS 27 0.900 14.330 -15.767 -11.064 -99.200 -91.000 PHE 37 1.000 14.808 -6.496 6.196 -99.200 -91.000 PHE 44 1.000 20.204 -8.414 -4.810 -99.200 -91.000 PHE 51 1.000 19.744 -21.644 -15.114 -99.200 -91.000 TYR 53 0.840 16.089 -18.505 -13.995 -99.200 -91.000