============================================================================= 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 8 0.900 -11.678 53.059 11.378 -99.200 -91.000 TYR 17 0.840 -16.060 55.700 18.576 -99.200 -91.000 TYR 22 0.840 -19.867 55.318 30.012 -99.200 -91.000 PHE 24 1.000 -28.020 61.038 24.660 -99.200 -91.000 PHE 25 1.000 -28.777 56.586 26.943 -99.200 -91.000