============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. HIS 10 0.900 15.859 -13.545 33.764 -99.200 -91.000 TYR 31 0.840 30.771 -14.394 38.267 -99.200 -91.000 TYR 36 0.840 27.558 -17.905 33.353 -99.200 -91.000 TYR 37 0.840 25.747 -16.757 25.468 -99.200 -91.000 PHE 38 1.000 21.030 -14.297 31.789 -99.200 -91.000 TRP 40 1.040 14.195 -10.951 29.070 -99.200 -91.000 TRP6 40 1.020 16.526 -10.646 29.212 -99.200 -91.000 TYR 42 0.840 7.389 -12.177 20.144 -99.200 -91.000 PHE 57 1.000 19.429 -8.433 19.026 -99.200 -91.000 PHE 66 1.000 33.337 -6.276 16.095 -99.200 -91.000 TYR 89 0.840 48.587 5.404 5.075 -99.200 -91.000 TRP 90 1.040 41.736 9.869 -0.760 -99.200 -91.000 TRP6 90 1.020 39.703 10.349 0.316 -99.200 -91.000 TRP 98 1.040 41.875 17.174 4.354 -99.200 -91.000 TRP6 98 1.020 41.020 15.576 5.834 -99.200 -91.000 HIS 105 0.900 45.259 14.930 14.895 -99.200 -91.000 TYR 109 0.840 35.194 9.183 17.640 -99.200 -91.000 PHE 131 1.000 32.016 14.988 4.008 -99.200 -91.000 TYR 132 0.840 36.082 12.405 4.346 -99.200 -91.000 TRP 135 1.040 35.416 19.019 7.744 -99.200 -91.000 TRP6 135 1.020 37.570 18.618 8.562 -99.200 -91.000 TRP 139 1.040 36.461 23.194 17.182 -99.200 -91.000 TRP6 139 1.020 35.183 21.231 17.236 -99.200 -91.000 PHE 155 1.000 42.159 4.268 12.177 -99.200 -91.000 PHE 167 1.000 36.364 -1.658 7.497 -99.200 -91.000 PHE 176 1.000 33.738 -9.404 11.453 -99.200 -91.000 HIS 183 0.900 26.856 -18.317 13.558 -99.200 -91.000 TRP 185 1.040 26.747 -12.464 9.283 -99.200 -91.000 TRP6 185 1.020 27.988 -14.042 8.037 -99.200 -91.000 TYR 196 0.840 19.540 -7.640 9.527 -99.200 -91.000 TRP 198 1.040 12.226 -7.273 9.965 -99.200 -91.000 TRP6 198 1.020 12.768 -5.855 8.150 -99.200 -91.000 TYR 200 0.840 10.055 -4.137 15.274 -99.200 -91.000 HIS 207 0.900 16.532 -5.394 8.530 -99.200 -91.000 TYR 218 0.840 26.511 3.943 9.383 -99.200 -91.000 TRP 230 1.040 34.161 -7.018 19.937 -99.200 -91.000 TRP6 230 1.020 36.187 -7.040 18.719 -99.200 -91.000 TYR 256 0.840 45.586 5.911 21.160 -99.200 -91.000 TRP 257 1.040 43.103 12.199 21.485 -99.200 -91.000 TRP6 257 1.020 44.394 14.125 21.108 -99.200 -91.000 TYR 263 0.840 41.605 8.499 31.152 -99.200 -91.000 TRP 268 1.040 37.239 -1.503 22.650 -99.200 -91.000 TRP6 268 1.020 35.114 -2.339 23.201 -99.200 -91.000 TRP 273 1.040 36.207 -1.324 38.744 -99.200 -91.000 TRP6 273 1.020 33.871 -1.072 38.500 -99.200 -91.000 TRP 306 1.040 32.180 1.208 32.326 -99.200 -91.000 TRP6 306 1.020 30.795 -0.228 33.580 -99.200 -91.000 HIS 308 0.900 31.390 3.521 28.391 -99.200 -91.000 PHE 316 1.000 18.350 -3.781 15.030 -99.200 -91.000 TYR 319 0.840 26.981 0.280 27.814 -99.200 -91.000 PHE 322 1.000 36.276 -4.645 27.549 -99.200 -91.000 TYR 338 0.840 17.718 0.509 25.662 -99.200 -91.000 TRP 348 1.040 28.135 1.033 38.220 -99.200 -91.000 TRP6 348 1.020 27.057 0.989 40.295 -99.200 -91.000