============================================================================= 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. TRP 6 1.040 0.686 17.631 19.780 -99.200 -91.000 TRP6 6 1.020 -1.650 17.482 19.434 -99.200 -91.000 TRP 42 1.040 26.231 -11.650 13.396 -99.200 -91.000 TRP6 42 1.020 24.829 -12.882 11.948 -99.200 -91.000 PHE 53 1.000 7.013 -13.104 11.624 -99.200 -91.000 TYR 59 0.840 25.345 -7.401 15.870 -99.200 -91.000 HIS 69 0.900 17.662 9.701 30.926 -99.200 -91.000 PHE 99 1.000 -3.893 6.846 29.457 -99.200 -91.000