============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. PHE 4 1.000 33.934 45.899 9.247 -99.200 -91.000 PHE 9 1.000 32.093 43.923 13.415 -99.200 -91.000 TYR 14 0.840 27.718 44.827 8.709 -99.200 -91.000 TYR 21 0.840 23.052 47.107 0.117 -99.200 -91.000 PHE 25 1.000 22.087 48.967 -6.854 -99.200 -91.000 TYR 26 0.840 19.630 43.841 -4.691 -99.200 -91.000 TYR 31 0.840 25.859 47.307 -16.685 -99.200 -91.000 HIS 32 0.900 24.688 39.388 -15.895 -99.200 -91.000 PHE 59 1.000 23.416 35.404 -11.113 -99.200 -91.000 TYR 85 0.840 18.507 33.016 2.109 -99.200 -91.000 PHE 90 1.000 27.057 33.203 2.650 -99.200 -91.000 PHE 98 1.000 37.437 36.164 -7.546 -99.200 -91.000 PHE 100 1.000 35.580 31.625 -4.151 -99.200 -91.000 HIS 120 0.900 34.849 51.047 2.121 -99.200 -91.000 TRP 121 1.040 36.645 48.089 4.303 -99.200 -91.000 TRP6 121 1.020 37.422 49.711 5.788 -99.200 -91.000 PHE 122 1.000 37.601 44.783 -1.894 -99.200 -91.000 PHE 124 1.000 38.147 50.331 -7.940 -99.200 -91.000 PHE 127 1.000 37.211 43.701 -6.662 -99.200 -91.000 TYR 132 0.840 40.285 41.494 -18.484 -99.200 -91.000 TRP 144 1.040 25.310 48.101 -3.795 -99.200 -91.000 TRP6 144 1.020 25.285 46.106 -5.031 -99.200 -91.000 TYR 146 0.840 25.937 51.478 3.793 -99.200 -91.000 PHE 151 1.000 18.393 60.348 11.621 -99.200 -91.000 TYR 154 0.840 12.759 64.305 12.906 -99.200 -91.000 PHE 157 1.000 17.544 64.397 15.384 -99.200 -91.000 TYR 165 0.840 33.033 61.365 9.733 -99.200 -91.000 TYR 173 0.840 39.419 55.292 18.789 -99.200 -91.000 TRP 174 1.040 35.394 56.975 11.409 -99.200 -91.000 TRP6 174 1.020 33.819 55.287 11.008 -99.200 -91.000 HIS 189 0.900 38.253 57.418 -12.086 -99.200 -91.000 PHE 195 1.000 35.989 45.440 -15.496 -99.200 -91.000 HIS 196 0.900 31.598 46.725 -23.236 -99.200 -91.000 TYR 202 0.840 30.223 59.415 -8.140 -99.200 -91.000 PHE 203 1.000 20.294 60.565 -3.536 -99.200 -91.000 HIS 215 0.900 11.348 66.891 -12.733 -99.200 -91.000 HIS 217 0.900 19.949 62.848 -8.479 -99.200 -91.000 PHE 233 1.000 22.094 56.922 12.746 -99.200 -91.000 TYR 236 0.840 24.570 52.911 10.322 -99.200 -91.000 TRP 240 1.040 28.721 53.317 12.212 -99.200 -91.000 TRP6 240 1.020 28.597 55.551 12.908 -99.200 -91.000 TYR 243 0.840 30.164 51.617 19.776 -99.200 -91.000 HIS 244 0.900 35.268 45.458 17.648 -99.200 -91.000 TRP 246 1.040 35.371 55.962 21.617 -99.200 -91.000 TRP6 246 1.020 33.616 55.502 23.103 -99.200 -91.000 TRP 261 1.040 26.916 63.071 23.428 -99.200 -91.000 TRP6 261 1.020 27.224 63.840 21.218 -99.200 -91.000 PHE 262 1.000 21.686 59.418 17.106 -99.200 -91.000 TRP 283 1.040 23.439 55.321 5.316 -99.200 -91.000 TRP6 283 1.020 21.457 54.346 6.134 -99.200 -91.000 PHE 286 1.000 30.548 53.635 -4.006 -99.200 -91.000 TYR 287 0.840 24.373 53.079 -9.773 -99.200 -91.000