============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 33 0.840 39.559 29.366 6.773 -99.200 -91.000 PHE 60 1.000 41.364 20.405 14.887 -99.200 -91.000 PHE 65 1.000 53.588 29.178 14.496 -99.200 -91.000 TRP 80 1.040 48.429 20.652 27.126 -99.200 -91.000 TRP6 80 1.020 50.490 20.931 26.011 -99.200 -91.000 TRP 86 1.040 56.029 20.050 25.388 -99.200 -91.000 TRP6 86 1.020 55.219 21.776 23.982 -99.200 -91.000 TRP 93 1.040 53.235 18.359 18.365 -99.200 -91.000 TRP6 93 1.020 53.893 20.604 17.941 -99.200 -91.000 TYR 94 0.840 58.836 22.005 15.402 -99.200 -91.000 TYR 109 0.840 51.432 12.780 19.798 -99.200 -91.000 PHE 133 1.000 59.821 24.086 10.091 -99.200 -91.000 PHE 138 1.000 49.802 21.088 19.652 -99.200 -91.000 TYR 139 0.840 45.628 23.006 13.348 -99.200 -91.000 PHE 156 1.000 22.591 -6.037 11.988 -99.200 -91.000 TYR 160 0.840 34.004 -3.243 19.257 -99.200 -91.000 PHE 162 1.000 38.376 -2.853 14.871 -99.200 -91.000 HIS 173 0.900 37.943 -1.160 21.181 -99.200 -91.000 PHE 178 1.000 41.160 -3.088 24.335 -99.200 -91.000 PHE 185 1.000 40.549 -4.060 19.187 -99.200 -91.000 HIS 196 0.900 38.203 -12.022 9.490 -99.200 -91.000 TYR 205 0.840 31.773 -11.302 19.624 -99.200 -91.000 PHE 209 1.000 39.956 -5.389 10.091 -99.200 -91.000 TRP 217 1.040 44.537 6.121 10.143 -99.200 -91.000 TRP6 217 1.020 43.166 7.822 11.050 -99.200 -91.000 TYR 218 0.840 42.987 -1.334 5.541 -99.200 -91.000 TYR 229 0.840 24.245 -16.194 11.301 -99.200 -91.000