============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. TYR 10 0.840 -20.339 30.283 18.405 -99.200 -91.000 TRP 22 1.040 -7.102 32.307 7.484 -99.200 -91.000 TRP6 22 1.020 -7.937 32.609 5.290 -99.200 -91.000 TYR 24 0.840 -5.870 33.877 18.682 -99.200 -91.000 PHE 25 1.000 -3.114 31.241 15.317 -99.200 -91.000 TYR 26 0.840 -1.671 33.555 10.056 -99.200 -91.000 PHE 33 1.000 -10.524 36.576 17.439 -99.200 -91.000 PHE 34 1.000 -9.821 37.104 22.315 -99.200 -91.000 TYR 41 0.840 -19.923 40.586 18.345 -99.200 -91.000 TYR 46 0.840 -16.556 39.033 22.053 -99.200 -91.000 PHE 55 1.000 -9.698 17.749 8.821 -99.200 -91.000 PHE 71 1.000 -9.968 35.519 33.274 -99.200 -91.000 PHE 75 1.000 -9.730 33.113 38.588 -99.200 -91.000 TYR 90 0.840 -4.845 21.668 21.279 -99.200 -91.000 TYR 100 0.840 1.010 7.345 33.448 -99.200 -91.000 TYR 105 0.840 -3.411 18.341 29.610 -99.200 -91.000 HIS 113 0.900 -6.426 18.841 41.355 -99.200 -91.000 PHE 121 1.000 0.183 22.512 46.762 -99.200 -91.000 PHE 122 1.000 8.658 16.144 49.811 -99.200 -91.000 PHE 132 1.000 16.101 33.389 48.653 -99.200 -91.000 PHE 135 1.000 17.108 33.493 39.945 -99.200 -91.000 TYR 139 0.840 18.390 32.829 36.181 -99.200 -91.000 PHE 143 1.000 21.535 38.886 34.258 -99.200 -91.000 PHE 158 1.000 16.773 36.986 29.489 -99.200 -91.000 PHE 167 1.000 16.383 20.872 32.354 -99.200 -91.000 PHE 169 1.000 16.219 28.423 39.804 -99.200 -91.000 PHE 174 1.000 11.669 22.838 40.821 -99.200 -91.000 TYR 175 0.840 13.778 17.478 39.859 -99.200 -91.000 TRP 195 1.040 6.914 16.856 25.277 -99.200 -91.000 TRP6 195 1.020 6.581 17.984 27.334 -99.200 -91.000 PHE 198 1.000 6.469 17.109 17.138 -99.200 -91.000 HIS 201 0.900 0.744 21.414 16.095 -99.200 -91.000 HIS 218 0.900 -1.778 27.919 12.838 -99.200 -91.000 PHE 220 1.000 -4.921 16.991 8.615 -99.200 -91.000 TYR 231 0.840 7.862 12.400 27.602 -99.200 -91.000 TYR 235 0.840 10.034 8.104 32.392 -99.200 -91.000 PHE 237 1.000 17.888 15.826 34.453 -99.200 -91.000 PHE 238 1.000 12.536 16.066 34.590 -99.200 -91.000 HIS 261 0.900 5.697 9.288 31.767 -99.200 -91.000 PHE 265 1.000 2.458 19.006 31.249 -99.200 -91.000 PHE 269 1.000 2.755 22.686 28.812 -99.200 -91.000 TRP 272 1.040 13.131 25.562 30.158 -99.200 -91.000 TRP6 272 1.020 12.257 25.545 27.958 -99.200 -91.000 PHE 279 1.000 12.786 34.540 35.163 -99.200 -91.000 HIS 291 0.900 18.642 54.303 30.697 -99.200 -91.000 HIS 294 0.900 16.129 50.168 33.608 -99.200 -91.000 TYR 328 0.840 2.748 41.044 43.892 -99.200 -91.000 PHE 333 1.000 1.124 46.771 30.084 -99.200 -91.000 TYR 341 0.840 -9.937 27.748 26.125 -99.200 -91.000 HIS 353 0.900 -16.763 45.749 35.005 -99.200 -91.000 PHE 357 1.000 -23.712 39.354 28.940 -99.200 -91.000 TYR 366 0.840 -10.373 32.595 25.438 -99.200 -91.000 TYR 368 0.840 -6.246 38.323 25.212 -99.200 -91.000 PHE 379 1.000 -5.662 46.266 38.277 -99.200 -91.000 PHE 385 1.000