============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 8 rings ring int. center anis. iso. PHE 4 1.000 -15.045 27.148 31.285 -99.200 -91.000 TYR 10 0.840 -8.284 27.304 19.681 -99.200 -91.000 TYR 21 0.840 -0.229 25.630 35.100 -99.200 -91.000 PHE 22 1.000 -4.546 20.522 29.202 -99.200 -91.000 TYR 23 0.840 -10.276 19.132 35.227 -99.200 -91.000 PHE 33 1.000 -3.077 25.299 26.655 -99.200 -91.000 TYR 35 0.840 -3.178 31.616 24.281 -99.200 -91.000 PHE 45 1.000 -8.630 27.949 33.806 -99.200 -91.000