============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 10 0.900 90.363 -16.620 13.102 -99.200 -91.000 TYR 31 0.840 72.512 -18.760 10.867 -99.200 -91.000 TYR 36 0.840 75.521 -21.384 16.467 -99.200 -91.000 TYR 37 0.840 77.291 -18.701 24.006 -99.200 -91.000 PHE 38 1.000 82.290 -17.711 17.515 -99.200 -91.000 TRP 40 1.040 89.159 -14.470 19.849 -99.200 -91.000 TRP6 40 1.020 86.886 -13.926 19.520 -99.200 -91.000 TYR 42 0.840 96.019 -13.964 29.198 -99.200 -91.000 PHE 57 1.000 83.782 -9.685 29.086 -99.200 -91.000 PHE 66 1.000 70.142 -6.293 30.911 -99.200 -91.000 TYR 89 0.840 55.144 7.993 38.516 -99.200 -91.000 TRP 90 1.040 61.996 13.258 44.016 -99.200 -91.000 TRP6 90 1.020 64.003 13.619 42.833 -99.200 -91.000 TRP 98 1.040 62.338 19.479 37.540 -99.200 -91.000 TRP6 98 1.020 63.155 17.561 36.457 -99.200 -91.000 HIS 105 0.900 58.755 15.153 27.868 -99.200 -91.000 TYR 109 0.840 68.698 8.649 26.216 -99.200 -91.000 PHE 131 1.000 71.853 17.168 38.448 -99.200 -91.000 TYR 132 0.840 67.857 14.702 38.597 -99.200 -91.000 TRP 135 1.040 68.673 20.349 34.005 -99.200 -91.000 TRP6 135 1.020 66.486 20.052 33.182 -99.200 -91.000 TRP 139 1.040 67.958 22.835 23.412 -99.200 -91.000 TRP6 139 1.020 69.450 21.150 24.104 -99.200 -91.000 TYR 147 0.840 73.398 7.819 25.694 -99.200 -91.000 PHE 155 1.000 61.656 5.117 32.570 -99.200 -91.000 PHE 167 1.000 67.268 0.172 38.272 -99.200 -91.000 PHE 176 1.000 69.626 -8.332 36.147 -99.200 -91.000 HIS 183 0.900 76.319 -17.741 36.428 -99.200 -91.000 TRP 185 1.040 75.228 -11.402 40.164 -99.200 -91.000 TRP6 185 1.020 73.851 -11.558 42.075 -99.200 -91.000 TYR 196 0.840 83.485 -6.866 38.122 -99.200 -91.000 TRP 198 1.040 90.968 -6.987 37.788 -99.200 -91.000 TRP6 198 1.020 90.458 -5.190 39.231 -99.200 -91.000 TYR 200 0.840 93.417 -5.119 32.120 -99.200 -91.000 HIS 207 0.900 86.548 -4.587 38.594 -99.200 -91.000 TYR 218 0.840 77.259 4.780 35.378 -99.200 -91.000 TRP 230 1.040 69.339 -7.934 27.326 -99.200 -91.000 TRP6 230 1.020 67.268 -7.585 28.432 -99.200 -91.000 TYR 256 0.840 58.207 4.794 23.410 -99.200 -91.000 TRP 257 1.040 60.873 10.945 21.790 -99.200 -91.000 TRP6 257 1.020 59.605 12.921 21.776 -99.200 -91.000 TYR 263 0.840 62.304 5.289 13.130 -99.200 -91.000 TRP 268 1.040 66.415 -2.942 23.541 -99.200 -91.000 TRP6 268 1.020 68.548 -3.892 23.137 -99.200 -91.000 TRP 273 1.040 67.330 -6.034 7.508 -99.200 -91.000 TRP6 273 1.020 69.660 -6.004 7.850 -99.200 -91.000 TRP 309 1.040 71.581 -2.388 13.586 -99.200 -91.000 TRP6 309 1.020 72.953 -4.089 12.710 -99.200 -91.000 HIS 311 0.900 72.423 0.518 16.948 -99.200 -91.000 PHE 319 1.000 85.095 -4.291 31.879 -99.200 -91.000 TYR 322 0.840 76.763 -2.475 18.317 -99.200 -91.000 PHE 325 1.000 67.401 -7.058 19.360 -99.200 -91.000 TYR 341 0.840 86.259 -2.204 20.758 -99.200 -91.000 TRP 351 1.040 77.549 -3.871 7.499 -99.200 -91.000 TRP6 351 1.020 75.222 -4.084 7.158 -99.200 -91.000