============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 12 1.000 27.179 73.324 -15.523 -99.200 -91.000 TYR 18 0.840 15.532 69.767 -18.794 -99.200 -91.000 PHE 33 1.000 20.323 48.305 -16.854 -99.200 -91.000 TYR 52 0.840 22.902 47.527 -12.124 -99.200 -91.000 TYR 53 0.840 31.097 49.324 -14.890 -99.200 -91.000 TRP 58 1.040 20.117 63.859 -20.030 -99.200 -91.000 TRP6 58 1.020 21.261 62.496 -18.497 -99.200 -91.000 TRP 65 1.040 30.500 74.200 -25.437 -99.200 -91.000 TRP6 65 1.020 29.935 72.260 -24.242 -99.200 -91.000 TYR 70 0.840 31.924 79.278 -23.882 -99.200 -91.000 PHE 76 1.000 31.208 70.839 -19.238 -99.200 -91.000 TRP 84 1.040 16.469 66.865 -14.747 -99.200 -91.000 TRP6 84 1.020 16.333 65.067 -16.265 -99.200 -91.000 TYR 91 0.840 9.592 51.211 -12.231 -99.200 -91.000 HIS 109 0.900 29.819 70.465 -30.124 -99.200 -91.000 PHE 115 1.000 25.208 59.711 -13.651 -99.200 -91.000 PHE 123 1.000 17.092 41.341 -9.184 -99.200 -91.000 PHE 142 1.000 17.158 48.663 -13.433 -99.200 -91.000 TRP 145 1.040 9.188 56.882 -7.349 -99.200 -91.000 TRP6 145 1.020 8.916 54.548 -7.191 -99.200 -91.000 TYR 147 0.840 10.029 63.836 -14.812 -99.200 -91.000 PHE 150 1.000 0.968 61.369 -23.000 -99.200 -91.000 TYR 166 0.840 28.522 37.601 -14.930 -99.200 -91.000 TYR 167 0.840 34.943 37.331 -10.753 -99.200 -91.000 TYR 172 0.840 25.136 32.585 -8.095 -99.200 -91.000 HIS 185 0.900 -0.951 52.656 -22.700 -99.200 -91.000 TYR 186 0.840 0.638 51.430 -14.278 -99.200 -91.000 TYR 191 0.840 2.542 55.910 -15.863 -99.200 -91.000 PHE 200 1.000 20.647 34.107 -11.408 -99.200 -91.000