============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TYR 17 0.840 -36.618 0.350 11.426 -99.200 -91.000 PHE 22 1.000 -52.550 8.357 11.133 -99.200 -91.000 PHE 28 1.000 -46.255 17.009 -0.417 -99.200 -91.000 PHE 32 1.000 -48.730 4.796 9.719 -99.200 -91.000 PHE 43 1.000 -35.868 3.660 16.475 -99.200 -91.000 HIS 57 0.900 -38.882 23.446 -5.629 -99.200 -91.000 HIS 69 0.900 -34.016 15.538 11.872 -99.200 -91.000 HIS 74 0.900 -27.865 20.119 21.536 -99.200 -91.000 HIS 76 0.900 -32.419 20.191 25.268 -99.200 -91.000 PHE 80 1.000 -32.343 11.221 9.462 -99.200 -91.000 HIS 81 0.900 -32.415 7.380 16.491 -99.200 -91.000 PHE 83 1.000 -31.966 8.381 3.498 -99.200 -91.000 PHE 84 1.000 -36.239 2.008 5.745 -99.200 -91.000 PHE 89 1.000 -45.813 4.015 0.379 -99.200 -91.000 PHE 91 1.000 -40.919 2.954 3.663 -99.200 -91.000 HIS 106 0.900 -51.004 27.940 22.829 -99.200 -91.000 TYR 119 0.840 -37.823 22.234 31.626 -99.200 -91.000 TYR 120 0.840 -41.856 23.327 28.597 -99.200 -91.000 TYR 130 0.840 -25.907 20.388 17.223 -99.200 -91.000 HIS 132 0.900 -29.141 30.141 14.730 -99.200 -91.000 HIS 138 0.900 -36.709 24.404 12.521 -99.200 -91.000 PHE 147 1.000 -42.129 17.056 16.924 -99.200 -91.000 PHE 159 1.000 -33.800 20.137 12.028 -99.200 -91.000 TYR 167 0.840 -22.052 32.876 0.260 -99.200 -91.000 TYR 181 0.840 -44.949 31.459 16.474 -99.200 -91.000 HIS 192 0.900 -34.522 34.127 4.627 -99.200 -91.000 PHE 194 1.000 -26.520 31.401 10.865 -99.200 -91.000 TRP 199 1.040 -40.250 37.149 13.882 -99.200 -91.000 TRP6 199 1.020 -40.756 39.446 14.164 -99.200 -91.000 TYR 206 0.840 -47.330 38.394 22.636 -99.200 -91.000 PHE 215 1.000 -46.003 40.442 15.269 -99.200 -91.000 TYR 224 0.840 -47.735 36.204 5.794 -99.200 -91.000 TYR 232 0.840 -44.425 43.167 19.578 -99.200 -91.000 HIS 237 0.900 -50.990 39.572 31.692 -99.200 -91.000 PHE 268 1.000 -37.690 34.860 30.685 -99.200 -91.000 PHE 269 1.000 -33.718 32.318 29.138 -99.200 -91.000 TYR 273 0.840 -37.246 27.290 40.351 -99.200 -91.000 PHE 289 1.000 -42.304 25.645 38.909 -99.200 -91.000