============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 61 rings ring int. center anis. iso. TYR 9 0.840 55.291 56.768 10.947 -99.200 -91.000 TRP 11 1.040 46.717 60.148 16.227 -99.200 -91.000 TRP6 11 1.020 45.502 61.333 14.602 -99.200 -91.000 TYR 15 0.840 46.719 56.589 20.930 -99.200 -91.000 TRP 20 1.040 50.643 48.823 13.358 -99.200 -91.000 TRP6 20 1.020 50.040 49.874 11.365 -99.200 -91.000 TYR 31 0.840 45.634 52.767 0.418 -99.200 -91.000 PHE 37 1.000 40.828 59.473 6.175 -99.200 -91.000 HIS 44 0.900 58.768 45.264 5.491 -99.200 -91.000 TYR 60 0.840 35.980 61.168 17.834 -99.200 -91.000 PHE 74 1.000 33.840 51.281 18.279 -99.200 -91.000 TYR 87 0.840 42.588 46.878 17.695 -99.200 -91.000 PHE 90 1.000 43.368 58.926 17.971 -99.200 -91.000 TYR 98 0.840 38.901 46.375 6.476 -99.200 -91.000 PHE 125 1.000 23.448 46.698 19.247 -99.200 -91.000 HIS 126 0.900 16.638 44.646 19.947 -99.200 -91.000 PHE 132 1.000 25.840 53.696 27.498 -99.200 -91.000 HIS 137 0.900 15.673 59.619 28.157 -99.200 -91.000 TRP 138 1.040 17.472 57.816 21.034 -99.200 -91.000 TRP6 138 1.020 16.459 56.986 19.080 -99.200 -91.000 PHE 140 1.000 6.728 59.571 20.656 -99.200 -91.000 TYR 146 0.840 16.475 64.584 15.533 -99.200 -91.000 TYR 167 0.840 3.720 65.768 4.414 -99.200 -91.000 PHE 189 1.000 22.810 49.708 23.601 -99.200 -91.000 HIS 191 0.900 22.787 49.759 14.733 -99.200 -91.000 PHE 213 1.000 28.058 49.743 17.220 -99.200 -91.000 TYR 215 0.840 21.720 58.030 13.901 -99.200 -91.000 TYR 218 0.840 19.331 50.050 27.965 -99.200 -91.000 TYR 220 0.840 9.148 52.926 23.775 -99.200 -91.000 PHE 223 1.000 13.113 53.927 15.813 -99.200 -91.000 HIS 228 0.900 16.422 45.023 8.870 -99.200 -91.000 PHE 229 1.000 10.172 43.783 9.807 -99.200 -91.000 TRP 232 1.040 13.522 44.447 4.697 -99.200 -91.000 TRP6 232 1.020 12.534 42.406 4.092 -99.200 -91.000 TYR 234 0.840 12.709 55.071 2.033 -99.200 -91.000 TYR 236 0.840 19.092 55.197 2.605 -99.200 -91.000 HIS 238 0.900 18.222 56.154 -8.184 -99.200 -91.000 TRP 241 1.040 17.803 65.838 -6.766 -99.200 -91.000 TRP6 241 1.020 18.963 66.822 -4.984 -99.200 -91.000 PHE 243 1.000 22.851 62.317 -6.258 -99.200 -91.000 TYR 244 0.840 14.985 59.373 -1.670 -99.200 -91.000 TYR 251 0.840 7.027 47.690 5.705 -99.200 -91.000 HIS 259 0.900 12.664 33.701 7.507 -99.200 -91.000 PHE 260 1.000 14.054 40.801 11.595 -99.200 -91.000 HIS 263 0.900 14.903 32.145 11.650 -99.200 -91.000 TYR 264 0.840 13.855 40.378 18.317 -99.200 -91.000 TYR 293 0.840 6.400 50.910 19.616 -99.200 -91.000 HIS 298 0.900 7.749 55.111 7.118 -99.200 -91.000 PHE 299 1.000 6.002 62.397 13.248 -99.200 -91.000 PHE 300 1.000 15.069 59.353 15.247 -99.200 -91.000 TRP 301 1.040 15.505 56.970 10.560 -99.200 -91.000 TRP6 301 1.020 17.544 57.748 11.448 -99.200 -91.000 TRP 304 1.040 19.111 62.383 11.027 -99.200 -91.000 TRP6 304 1.020 19.646 61.795 8.801 -99.200 -91.000 PHE 316 1.000