============================================================================= 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 9.770 -39.990 27.776 -99.200 -91.000 TRP6 6 1.020 11.754 -41.261 27.992 -99.200 -91.000 TRP 42 1.040 7.579 -15.336 57.401 -99.200 -91.000 TRP6 42 1.020 7.346 -13.370 56.118 -99.200 -91.000 PHE 53 1.000 13.943 -8.371 39.393 -99.200 -91.000 TYR 59 0.840 8.445 -20.037 55.848 -99.200 -91.000 HIS 69 0.900 17.779 -40.018 47.728 -99.200 -91.000 PHE 99 1.000 24.664 -33.947 27.918 -99.200 -91.000