============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. TYR 10 0.840 26.813 49.889 -1.222 -99.200 -91.000 TYR 12 0.840 17.181 47.045 3.918 -99.200 -91.000 HIS 17 0.900 21.606 60.860 4.512 -99.200 -91.000 TYR 23 0.840 22.462 54.720 9.371 -99.200 -91.000 PHE 34 1.000 18.896 44.634 15.429 -99.200 -91.000 PHE 35 1.000 23.658 37.814 15.853 -99.200 -91.000 PHE 39 1.000 14.688 40.474 21.597 -99.200 -91.000 HIS 53 0.900 19.410 33.684 13.742 -99.200 -91.000 PHE 82 1.000 21.532 38.581 3.493 -99.200 -91.000 PHE 92 1.000 16.521 41.422 8.631 -99.200 -91.000 HIS 95 0.900 11.603 35.386 8.314 -99.200 -91.000 PHE 112 1.000 21.848 40.887 11.495 -99.200 -91.000 TYR 115 0.840 27.936 41.247 13.605 -99.200 -91.000