============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 7 rings ring int. center anis. iso. TYR 40 0.840 50.695 9.692 105.555 -99.200 -91.000 TYR 46 0.840 51.735 5.663 95.716 -99.200 -91.000 TYR 47 0.840 54.032 -4.732 93.088 -99.200 -91.000 PHE 48 1.000 58.597 -0.512 87.915 -99.200 -91.000 TYR 68 0.840 26.533 -4.701 91.884 -99.200 -91.000 HIS 70 0.900 20.912 1.214 93.655 -99.200 -91.000 HIS 86 0.900 20.377 2.158 83.192 -99.200 -91.000