============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. HIS 10 0.900 -16.440 4.987 36.426 -99.200 -91.000 PHE 11 1.000 -9.590 5.139 30.663 -99.200 -91.000 PHE 12 1.000 -6.692 13.426 32.877 -99.200 -91.000 TYR 15 0.840 -5.633 11.202 23.013 -99.200 -91.000 HIS 23 0.900 8.015 11.861 25.653 -99.200 -91.000 TYR 29 0.840 5.291 14.469 29.837 -99.200 -91.000 TYR 37 0.840 -3.784 4.934 35.543 -99.200 -91.000 PHE 38 1.000 0.785 10.417 31.570 -99.200 -91.000 PHE 42 1.000 -2.618 10.769 17.606 -99.200 -91.000 TYR 45 0.840 3.484 1.959 5.670 -99.200 -91.000 TYR 49 0.840 11.943 2.728 11.231 -99.200 -91.000 TRP 54 1.040 6.234 5.354 19.039 -99.200 -91.000 TRP6 54 1.020 4.184 5.362 20.237 -99.200 -91.000 PHE 63 1.000 8.941 7.535 22.557 -99.200 -91.000 PHE 81 1.000 -2.380 1.355 16.843 -99.200 -91.000 TYR 88 0.840 -5.550 7.755 10.131 -99.200 -91.000 TRP 102 1.040 2.106 -3.776 9.563 -99.200 -91.000 TRP6 102 1.020 1.255 -2.554 7.723 -99.200 -91.000 TYR 103 0.840 -4.525 -1.993 13.952 -99.200 -91.000 TYR 110 0.840 5.614 0.498 23.212 -99.200 -91.000 TYR 114 0.840 -8.810 0.782 27.029 -99.200 -91.000 PHE 117 1.000 -7.700 0.591 16.993 -99.200 -91.000 TRP 141 1.040 -3.896 -9.573 26.804 -99.200 -91.000 TRP6 141 1.020 -3.368 -11.630 25.752 -99.200 -91.000 PHE 144 1.000 -9.705 -4.299 19.787 -99.200 -91.000 PHE 146 1.000 -13.207 1.322 17.727 -99.200 -91.000 TYR 160 0.840 -24.105 6.178 14.809 -99.200 -91.000 TYR 183 0.840 -17.710 21.197 19.224 -99.200 -91.000 TYR 184 0.840 -13.067 25.017 12.469 -99.200 -91.000 TRP 185 1.040 -21.702 24.337 14.296 -99.200 -91.000 TRP6 185 1.020 -23.582 24.532 15.736 -99.200 -91.000 PHE 201 1.000 -27.589 7.372 27.124 -99.200 -91.000 TYR 208 0.840 -23.100 -1.624 20.947 -99.200 -91.000 TRP 217 1.040 -24.905 8.193 30.921 -99.200 -91.000 TRP6 217 1.020 -24.528 9.890 29.301 -99.200 -91.000 PHE 235 1.000 -13.012 22.039 27.900 -99.200 -91.000 TRP 246 1.040 -22.862 16.058 32.132 -99.200 -91.000 TRP6 246 1.020 -22.029 14.239 30.862 -99.200 -91.000 HIS 250 0.900 -24.779 12.982 33.648 -99.200 -91.000 PHE 257 1.000 -5.595 17.524 29.517 -99.200 -91.000 TRP 258 1.040 -3.794 17.723 20.915 -99.200 -91.000 TRP6 258 1.020 -2.730 15.681 20.397 -99.200 -91.000 HIS 264 0.900 3.741 23.183 30.127 -99.200 -91.000 HIS 275 0.900 1.371 28.517 23.883 -99.200 -91.000 TRP 283 1.040 2.719 20.548 35.006 -99.200 -91.000 TRP6 283 1.020 2.882 19.455 32.916 -99.200 -91.000 PHE 285 1.000 -7.358 23.894 31.085 -99.200 -91.000 HIS 287 0.900 -1.939 19.755 39.137 -99.200 -91.000 PHE 289 1.000 -10.000 17.322 31.620 -99.200 -91.000 PHE 292 1.000 -14.103 10.465 35.111 -99.200 -91.000 PHE 296 1.000 -16.552 7.689 39.373 -99.200 -91.000 TYR 298 0.840 -5.069 8.194 40.252 -99.200 -91.000 PHE 300 1.000 1.269 9.675 41.270 -99.200 -91.000