============================================================================= 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 6 0.840 40.895 20.609 1.553 -99.200 -91.000 PHE 33 1.000 26.646 0.228 13.319 -99.200 -91.000 TYR 42 0.840 12.640 -4.566 13.943 -99.200 -91.000 TYR 45 0.840 16.596 2.381 16.658 -99.200 -91.000 TYR 46 0.840 12.426 4.622 14.422 -99.200 -91.000 TYR 67 0.840 27.421 16.226 8.411 -99.200 -91.000 HIS 71 0.900 32.622 19.354 16.933 -99.200 -91.000 TYR 87 0.840 16.555 -1.096 19.740 -99.200 -91.000 PHE 95 1.000 28.519 -1.593 23.580 -99.200 -91.000 PHE 105 1.000 34.722 10.871 11.813 -99.200 -91.000 TYR 106 0.840 36.235 10.677 16.441 -99.200 -91.000 HIS 114 0.900 47.472 15.187 14.066 -99.200 -91.000 HIS 115 0.900 50.907 11.947 5.381 -99.200 -91.000