============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. HIS 6 0.900 28.459 -9.677 24.135 -99.200 -91.000 PHE 13 1.000 27.758 -8.839 11.925 -99.200 -91.000 TYR 20 0.840 34.248 -8.549 8.966 -99.200 -91.000 PHE 32 1.000 52.544 3.998 -7.864 -99.200 -91.000 TRP 42 1.040 46.378 12.646 4.274 -99.200 -91.000 TRP6 42 1.020 47.984 13.533 5.754 -99.200 -91.000 PHE 46 1.000 49.810 16.837 8.533 -99.200 -91.000 PHE 47 1.000 53.580 19.212 5.431 -99.200 -91.000 TRP 50 1.040 53.733 24.943 8.522 -99.200 -91.000 TRP6 50 1.020 55.383 23.281 8.322 -99.200 -91.000 PHE 65 1.000 36.189 32.692 25.113 -99.200 -91.000 TYR 74 0.840 25.383 21.353 35.594 -99.200 -91.000 TRP 81 1.040 32.679 25.433 33.401 -99.200 -91.000 TRP6 81 1.020 34.857 26.320 33.630 -99.200 -91.000 TRP 86 1.040 31.868 31.538 31.182 -99.200 -91.000 TRP6 86 1.020 32.753 29.735 29.949 -99.200 -91.000 TYR 98 0.840 40.688 35.991 16.382 -99.200 -91.000 TRP 103 1.040 53.250 33.089 16.108 -99.200 -91.000 TRP6 103 1.020 53.737 30.959 17.011 -99.200 -91.000 PHE 122 1.000 31.837 16.824 32.129 -99.200 -91.000 TYR 132 0.840 34.347 10.949 32.468 -99.200 -91.000 PHE 134 1.000 29.305 11.624 25.201 -99.200 -91.000 PHE 136 1.000 34.270 24.632 27.891 -99.200 -91.000 TRP 142 1.040 46.918 11.446 15.955 -99.200 -91.000 TRP6 142 1.020 45.808 11.322 18.053 -99.200 -91.000 PHE 147 1.000 48.835 31.966 10.067 -99.200 -91.000 HIS 150 0.900 43.943 36.731 20.293 -99.200 -91.000 TRP 157 1.040 45.403 27.969 27.567 -99.200 -91.000 TRP6 157 1.020 44.411 25.978 26.763 -99.200 -91.000 TYR 159 0.840 40.857 30.221 17.654 -99.200 -91.000 PHE 164 1.000 42.779 17.990 12.081 -99.200 -91.000 TRP 168 1.040 40.488 29.549 22.437 -99.200 -91.000 TRP6 168 1.020 41.686 31.557 22.665 -99.200 -91.000 PHE 180 1.000 61.036 22.553 11.546 -99.200 -91.000 TYR 183 0.840 58.306 18.404 9.589 -99.200 -91.000 HIS 205 0.900 58.638 9.498 25.337 -99.200 -91.000 HIS 210 0.900 48.480 7.763 20.118 -99.200 -91.000 HIS 237 0.900 64.800 27.463 18.354 -99.200 -91.000 TYR 271 0.840 32.653 8.007 21.265 -99.200 -91.000 TRP 273 1.040 32.444 15.171 22.376 -99.200 -91.000 TRP6 273 1.020 30.830 14.697 20.714 -99.200 -91.000 TYR 277 0.840 40.212 10.527 29.499 -99.200 -91.000 PHE 290 1.000 39.618 5.043 4.303 -99.200 -91.000 PHE 293 1.000 45.749 2.122 4.047 -99.200 -91.000 TRP 296 1.040 41.996 15.998 4.026 -99.200 -91.000 TRP6 296 1.020 43.803 16.503 5.453 -99.200 -91.000 TYR 310 0.840 24.958 11.409 0.084 -99.200 -91.000 PHE 332 1.000 38.011 -4.206 4.326 -99.200 -91.000 TRP 336 1.040 26.396 11.351 8.003 -99.200 -91.000 TRP6 336 1.020 24.757 12.731 6.997 -99.200 -91.000 HIS 340 0.900 28.433 5.916 14.756 -99.200 -91.000 TYR 344 0.840 29.216 -2.668 2.711 -99.200 -91.000 HIS 348 0.900 30.897 -12.681 8.945 -99.200 -91.000 PHE 354 1.000 37.115 -0.378 12.673 -99.200 -91.000 HIS 355 0.900 29.742 1.023 14.414 -99.200 -91.000 TRP 357 1.040 28.366 7.023 25.121 -99.200 -91.000 TRP6 357 1.020 30.336 6.679 26.378 -99.200 -91.000 HIS 362 0.900 13.778 7.642 26.082 -99.200 -91.000 TYR 370 0.840 23.663 -2.492 26.425 -99.200 -91.000