============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. TYR 35 0.840 29.445 45.732 20.496 -99.200 -91.000 PHE 41 1.000 28.563 51.145 13.094 -99.200 -91.000 TYR 80 0.840 33.738 73.827 10.638 -99.200 -91.000 HIS 87 0.900 44.059 80.657 2.395 -99.200 -91.000 TYR 104 0.840 42.607 73.924 11.953 -99.200 -91.000 PHE 126 1.000 44.052 55.558 -2.024 -99.200 -91.000 PHE 135 1.000 35.872 55.221 1.396 -99.200 -91.000 HIS 172 0.900 55.858 49.971 4.099 -99.200 -91.000 TRP 185 1.040 48.956 66.797 6.365 -99.200 -91.000 TRP6 185 1.020 48.704 65.932 4.176 -99.200 -91.000 TRP 204 1.040 49.615 54.941 25.670 -99.200 -91.000 TRP6 204 1.020 47.937 53.344 25.325 -99.200 -91.000 TYR 215 0.840 18.816 59.740 11.357 -99.200 -91.000 TRP 225 1.040 53.136 55.105 16.621 -99.200 -91.000 TRP6 225 1.020 51.738 56.593 15.411 -99.200 -91.000 TYR 237 0.840 33.390 54.430 11.601 -99.200 -91.000 PHE 238 1.000 26.646 56.222 20.024 -99.200 -91.000