============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 66 rings ring int. center anis. iso. TYR 10 0.840 47.369 48.502 0.158 -99.200 -91.000 TRP 22 1.040 36.059 36.385 5.098 -99.200 -91.000 TRP6 22 1.020 37.156 34.303 5.401 -99.200 -91.000 TYR 24 0.840 33.584 47.397 5.857 -99.200 -91.000 PHE 25 1.000 30.938 43.435 4.052 -99.200 -91.000 TYR 26 0.840 30.749 38.312 6.940 -99.200 -91.000 PHE 33 1.000 38.477 47.122 7.948 -99.200 -91.000 PHE 34 1.000 37.166 51.945 8.188 -99.200 -91.000 TYR 41 0.840 48.364 49.363 10.409 -99.200 -91.000 TYR 46 0.840 44.330 52.511 9.077 -99.200 -91.000 PHE 55 1.000 36.190 36.385 -9.521 -99.200 -91.000 PHE 71 1.000 36.296 62.576 5.470 -99.200 -91.000 PHE 75 1.000 35.313 67.520 2.540 -99.200 -91.000 PHE 86 1.000 26.660 58.163 -5.141 -99.200 -91.000 TYR 90 0.840 30.478 48.650 -5.997 -99.200 -91.000 TYR 100 0.840 21.317 58.283 -20.503 -99.200 -91.000 TYR 105 0.840 27.753 56.295 -10.051 -99.200 -91.000 HIS 113 0.900 29.824 68.183 -11.501 -99.200 -91.000 PHE 121 1.000 23.517 73.617 -7.725 -99.200 -91.000 PHE 122 1.000 14.259 75.478 -13.174 -99.200 -91.000 PHE 132 1.000 9.320 76.373 5.450 -99.200 -91.000 PHE 135 1.000 9.055 67.615 6.837 -99.200 -91.000 TYR 139 0.840 7.879 63.612 6.926 -99.200 -91.000 PHE 143 1.000 5.764 62.801 13.427 -99.200 -91.000 PHE 158 1.000 10.274 58.085 11.788 -99.200 -91.000 PHE 167 1.000 8.688 58.264 -4.441 -99.200 -91.000 PHE 169 1.000 9.106 66.801 1.850 -99.200 -91.000 PHE 174 1.000 12.785 67.286 -4.552 -99.200 -91.000 TYR 175 0.840 9.906 65.312 -9.388 -99.200 -91.000 TRP 195 1.040 17.829 51.160 -9.205 -99.200 -91.000 TRP6 195 1.020 18.107 53.392 -8.454 -99.200 -91.000 PHE 198 1.000 18.970 43.174 -8.247 -99.200 -91.000 HIS 201 0.900 25.415 42.917 -4.957 -99.200 -91.000 HIS 218 0.900 29.480 40.559 1.283 -99.200 -91.000 PHE 220 1.000 31.385 35.669 -9.600 -99.200 -91.000 TYR 231 0.840 15.861 52.723 -13.556 -99.200 -91.000 TYR 235 0.840 12.679 56.652 -17.943 -99.200 -91.000 PHE 237 1.000 5.930 59.324 -9.405 -99.200 -91.000 PHE 238 1.000 11.260 59.880 -9.850 -99.200 -91.000 HIS 261 0.900 17.284 56.652 -17.552 -99.200 -91.000 PHE 265 1.000 22.024 57.547 -8.527 -99.200 -91.000 PHE 269 1.000 22.047 55.154 -4.688 -99.200 -91.000 TRP 272 1.040 12.545 57.105 -0.079 -99.200 -91.000 TRP6 272 1.020 13.438 54.916 -0.032 -99.200 -91.000 PHE 279 1.000 13.658 63.250 8.001 -99.200 -91.000 HIS 291 0.900 11.087 61.943 28.835 -99.200 -91.000 HIS 294 0.900 12.714 64.171 23.930 -99.200 -91.000 TYR 328 0.840 24.035 73.182 11.529 -99.200 -91.000 PHE 333 1.000 26.751 60.391 18.716 -99.200 -91.000 TYR 341 0.840 35.711 54.662 -1.360 -99.200 -91.000 HIS 353 0.900 44.019 66.062 14.368 -99.200 -91.000 PHE 357 1.000 50.868 59.826 7.645 -99.200 -91.000 TYR 366 0.840 36.902 54.568 3.369 -99.200 -91.000 TYR 368 0.840 33.354 54.723 9.422 -99.200 -91.000 PHE 379 1.000