============================================================================= 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 16 0.900 -38.113 32.977 16.563 -99.200 -91.000 PHE 24 1.000 -41.092 41.940 26.819 -99.200 -91.000 TYR 47 0.840 -31.501 35.681 28.338 -99.200 -91.000 TYR 77 0.840 -38.660 20.744 28.183 -99.200 -91.000 TYR 86 0.840 -42.812 47.567 33.882 -99.200 -91.000