============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. TYR 66 0.840 -26.944 2.432 5.424 -99.200 -91.000 HIS 114 0.900 -29.371 18.785 9.341 -99.200 -91.000 PHE 118 1.000 -38.654 23.052 5.592 -99.200 -91.000 HIS 125 0.900 -42.339 14.422 24.624 -99.200 -91.000 HIS 137 0.900 -40.463 26.458 7.058 -99.200 -91.000 TYR 138 0.840 -41.299 19.893 8.919 -99.200 -91.000 TYR 140 0.840 -47.388 18.432 16.459 -99.200 -91.000 PHE 161 1.000 -41.628 -2.256 22.318 -99.200 -91.000 PHE 163 1.000 -39.666 5.690 14.759 -99.200 -91.000