============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 11 rings ring int. center anis. iso. HIS 20 0.900 -4.470 51.512 27.483 -99.200 -91.000 PHE 23 1.000 6.017 48.783 24.745 -99.200 -91.000 PHE 34 1.000 7.291 45.968 11.857 -99.200 -91.000 TYR 44 0.840 11.200 36.172 20.690 -99.200 -91.000 PHE 62 1.000 4.845 43.827 18.724 -99.200 -91.000 TYR 75 0.840 9.159 47.089 27.066 -99.200 -91.000 TYR 79 0.840 12.694 46.219 9.383 -99.200 -91.000 TYR 80 0.840 13.361 37.504 7.953 -99.200 -91.000 TRP 85 1.040 15.784 38.168 12.009 -99.200 -91.000 TRP6 85 1.020 13.746 38.706 13.092 -99.200 -91.000 TYR 91 0.840 18.413 49.475 24.350 -99.200 -91.000