============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. HIS 11 0.900 -31.029 82.314 -42.329 -99.200 -91.000 PHE 14 1.000 -30.627 78.156 -37.359 -99.200 -91.000 TRP 46 1.040 -17.925 83.852 -42.753 -99.200 -91.000 TRP6 46 1.020 -19.261 84.412 -40.875 -99.200 -91.000 PHE 47 1.000 -12.606 77.406 -39.814 -99.200 -91.000 TYR 48 0.840 -17.786 73.642 -37.137 -99.200 -91.000 HIS 62 0.900 -23.636 55.984 -46.644 -99.200 -91.000 HIS 84 0.900 -10.055 75.661 -42.212 -99.200 -91.000 TRP 87 1.040 -8.122 67.701 -34.333 -99.200 -91.000 TRP6 87 1.020 -6.832 67.622 -36.316 -99.200 -91.000 HIS 88 0.900 -15.830 68.469 -34.253 -99.200 -91.000 TYR 89 0.840 -18.770 67.920 -38.940 -99.200 -91.000 TRP 92 1.040 -20.091 62.147 -39.392 -99.200 -91.000 TRP6 92 1.020 -21.010 59.991 -39.032 -99.200 -91.000 PHE 102 1.000 -18.749 45.207 -43.452 -99.200 -91.000 PHE 106 1.000 -14.907 47.390 -53.362 -99.200 -91.000 TRP 111 1.040 -7.364 46.550 -40.904 -99.200 -91.000 TRP6 111 1.020 -7.987 45.372 -38.948 -99.200 -91.000 PHE 118 1.000 -9.202 51.916 -34.435 -99.200 -91.000 HIS 125 0.900 -2.424 63.258 -27.721 -99.200 -91.000 HIS 132 0.900 -11.526 55.089 -29.114 -99.200 -91.000 PHE 134 1.000 -20.943 55.101 -36.308 -99.200 -91.000 TRP 144 1.040 -19.708 38.391 -35.788 -99.200 -91.000 TRP6 144 1.020 -21.060 37.738 -37.622 -99.200 -91.000 TRP 146 1.040 -12.152 39.907 -42.855 -99.200 -91.000 TRP6 146 1.020 -10.605 41.678 -42.568 -99.200 -91.000 TYR 166 0.840 -21.273 60.006 -22.997 -99.200 -91.000 TYR 207 0.840 -32.925 52.625 -27.953 -99.200 -91.000 HIS 208 0.900 -31.909 58.280 -35.037 -99.200 -91.000 TRP 211 1.040 -28.835 53.764 -33.001 -99.200 -91.000 TRP6 211 1.020 -28.081 54.198 -30.803 -99.200 -91.000 TYR 222 0.840 -31.291 33.141 -27.939 -99.200 -91.000 TRP 223 1.040 -36.423 35.527 -30.632 -99.200 -91.000 TRP6 223 1.020 -37.264 37.560 -31.489 -99.200 -91.000 TRP 235 1.040 -39.134 41.667 -34.385 -99.200 -91.000 TRP6 235 1.020 -38.652 41.169 -36.648 -99.200 -91.000 HIS 238 0.900 -47.518 43.286 -32.307 -99.200 -91.000 PHE 244 1.000 -35.088 47.210 -50.605 -99.200 -91.000 HIS 248 0.900 -27.839 52.365 -49.692 -99.200 -91.000 PHE 249 1.000 -28.360 54.562 -45.646 -99.200 -91.000 TRP 254 1.040 -38.099 45.575 -46.074 -99.200 -91.000 TRP6 254 1.020 -40.171 44.433 -46.059 -99.200 -91.000 PHE 267 1.000 -40.210 27.537 -46.182 -99.200 -91.000 TYR 301 0.840 -34.044 29.078 -52.937 -99.200 -91.000 TRP 302 1.040 -31.010 22.659 -45.193 -99.200 -91.000 TRP6 302 1.020 -29.917 21.009 -46.486 -99.200 -91.000 PHE 326 1.000 -19.781 39.472 -45.599 -99.200 -91.000 HIS 329 0.900 -21.437 38.039 -42.496 -99.200 -91.000 PHE 330 1.000 -20.498 31.723 -46.404 -99.200 -91.000 HIS 356 0.900 -8.221 27.585 -46.670 -99.200 -91.000