============================================================================= 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 8 0.900 -16.034 16.469 -1.106 -99.200 -91.000 HIS 12 0.900 -20.725 22.426 9.004 -99.200 -91.000 PHE 15 1.000 -17.079 16.656 15.032 -99.200 -91.000 PHE 17 1.000 -12.921 7.124 15.988 -99.200 -91.000 TYR 20 0.840 -6.763 0.828 10.517 -99.200 -91.000 TRP 33 1.040 -14.292 2.533 17.227 -99.200 -91.000 TRP6 33 1.020 -14.492 2.869 14.888 -99.200 -91.000 TRP 46 1.040 -12.999 14.545 5.719 -99.200 -91.000 TRP6 46 1.020 -13.418 13.228 3.789 -99.200 -91.000 HIS 53 0.900 -12.568 7.291 7.365 -99.200 -91.000 TRP 54 1.040 -17.990 11.685 3.546 -99.200 -91.000 TRP6 54 1.020 -18.477 13.847 4.429 -99.200 -91.000 TYR 66 0.840 -23.508 -1.469 6.297 -99.200 -91.000 TYR 69 0.840 -28.278 -2.963 -4.246 -99.200 -91.000 HIS 71 0.900 -27.635 7.096 -4.512 -99.200 -91.000 PHE 72 1.000 -24.325 5.779 0.808 -99.200 -91.000 PHE 78 1.000 -12.765 -4.339 4.740 -99.200 -91.000 TYR 87 0.840 -12.502 -7.137 1.328 -99.200 -91.000 PHE 89 1.000 -10.585 -11.733 1.511 -99.200 -91.000 PHE 102 1.000 -19.734 -15.288 -7.046 -99.200 -91.000 PHE 141 1.000 -11.825 -16.522 27.051 -99.200 -91.000 TYR 145 0.840 -13.152 -21.515 25.030 -99.200 -91.000 PHE 149 1.000 -15.588 -23.113 20.938 -99.200 -91.000 PHE 154 1.000 -12.052 -21.441 8.491 -99.200 -91.000 HIS 167 0.900 2.057 -18.097 6.933 -99.200 -91.000 TYR 170 0.840 2.218 -11.472 11.242 -99.200 -91.000 PHE 184 1.000 -6.980 -5.660 2.950 -99.200 -91.000 TYR 192 0.840 -6.537 -13.724 -2.568 -99.200 -91.000 TYR 194 0.840 -2.571 -22.101 3.966 -99.200 -91.000 PHE 247 1.000 -19.518 -11.179 20.936 -99.200 -91.000 PHE 250 1.000 -13.823 -6.561 22.177 -99.200 -91.000 PHE 254 1.000 -20.968 -7.310 30.982 -99.200 -91.000 HIS 261 0.900 -24.692 -7.672 33.850 -99.200 -91.000 PHE 283 1.000 -19.087 -5.869 25.931 -99.200 -91.000 TYR 296 0.840 -27.421 9.795 -2.163 -99.200 -91.000 PHE 298 1.000 -26.926 8.808 3.700 -99.200 -91.000 HIS 299 0.900 -29.853 10.881 6.841 -99.200 -91.000 HIS 328 0.900 -27.679 -1.958 32.545 -99.200 -91.000 PHE 331 1.000 -26.698 -10.869 30.321 -99.200 -91.000 HIS 338 0.900 -27.249 -7.222 16.655 -99.200 -91.000 PHE 341 1.000 -23.763 -12.180 13.994 -99.200 -91.000 HIS 343 0.900 -29.990 -3.075 7.911 -99.200 -91.000 HIS 346 0.900 -22.427 -7.476 0.566 -99.200 -91.000 HIS 352 0.900 -27.824 -18.738 10.827 -99.200 -91.000 TRP 365 1.040 -15.643 -19.708 31.858 -99.200 -91.000 TRP6 365 1.020 -13.451 -19.997 30.992 -99.200 -91.000 PHE 372 1.000 -15.657 -15.927 34.503 -99.200 -91.000 HIS 382 0.900 -11.237 -3.493 25.112 -99.200 -91.000 TRP 397 1.040 -10.704 -20.942 37.718 -99.200 -91.000 TRP6 397 1.020 -9.898 -20.212 35.611 -99.200 -91.000