============================================================================= 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 -42.651 -12.634 33.933 -99.200 -91.000 TYR 31 0.840 -27.830 -13.073 38.271 -99.200 -91.000 TYR 36 0.840 -31.160 -16.910 33.165 -99.200 -91.000 TYR 37 0.840 -32.873 -15.900 25.380 -99.200 -91.000 PHE 38 1.000 -37.601 -13.216 31.750 -99.200 -91.000 TRP 40 1.040 -44.551 -9.930 29.043 -99.200 -91.000 TRP6 40 1.020 -42.211 -9.670 29.179 -99.200 -91.000 TYR 42 0.840 -51.330 -11.246 20.176 -99.200 -91.000 PHE 57 1.000 -39.417 -7.424 18.998 -99.200 -91.000 PHE 66 1.000 -25.509 -5.036 16.005 -99.200 -91.000 TYR 89 0.840 -10.059 7.052 5.481 -99.200 -91.000 TRP 90 1.040 -16.872 10.987 -0.868 -99.200 -91.000 TRP6 90 1.020 -18.929 11.557 0.148 -99.200 -91.000 TRP 98 1.040 -17.065 18.527 4.237 -99.200 -91.000 TRP6 98 1.020 -17.877 16.882 5.730 -99.200 -91.000 HIS 105 0.900 -13.519 16.237 14.560 -99.200 -91.000 TYR 109 0.840 -23.717 10.611 17.391 -99.200 -91.000 PHE 131 1.000 -26.884 16.244 3.784 -99.200 -91.000 TYR 132 0.840 -22.722 13.757 4.118 -99.200 -91.000 TRP 135 1.040 -23.269 20.451 7.599 -99.200 -91.000 TRP6 135 1.020 -21.061 20.064 8.325 -99.200 -91.000 TRP 139 1.040 -22.282 24.783 16.861 -99.200 -91.000 TRP6 139 1.020 -23.529 22.780 16.911 -99.200 -91.000 TYR 147 0.840 -28.682 10.178 18.208 -99.200 -91.000 PHE 155 1.000 -16.761 5.573 12.097 -99.200 -91.000 PHE 167 1.000 -22.483 -0.396 7.232 -99.200 -91.000 PHE 176 1.000 -25.052 -8.189 11.315 -99.200 -91.000 HIS 183 0.900 -31.871 -17.059 12.993 -99.200 -91.000 TRP 185 1.040 -32.115 -11.401 9.263 -99.200 -91.000 TRP6 185 1.020 -30.798 -12.958 8.063 -99.200 -91.000 TYR 196 0.840 -39.413 -6.504 9.488 -99.200 -91.000 TRP 198 1.040 -46.693 -6.322 10.001 -99.200 -91.000 TRP6 198 1.020 -46.260 -4.862 8.185 -99.200 -91.000 TYR 200 0.840 -48.872 -3.183 15.408 -99.200 -91.000 HIS 207 0.900 -42.477 -4.271 8.570 -99.200 -91.000 TYR 218 0.840 -32.625 5.080 9.521 -99.200 -91.000 TRP 230 1.040 -24.683 -5.702 19.851 -99.200 -91.000 TRP6 230 1.020 -22.646 -5.746 18.636 -99.200 -91.000 TYR 256 0.840 -13.428 7.346 21.029 -99.200 -91.000 TRP 257 1.040 -15.898 13.594 21.330 -99.200 -91.000 TRP6 257 1.020 -14.587 15.525 20.947 -99.200 -91.000 TYR 263 0.840 -17.469 9.972 30.871 -99.200 -91.000 TRP 268 1.040 -21.687 -0.214 22.424 -99.200 -91.000 TRP6 268 1.020 -23.821 -1.055 23.008 -99.200 -91.000 TRP 273 1.040 -22.344 0.128 38.608 -99.200 -91.000 TRP6 273 1.020 -24.693 0.282 38.403 -99.200 -91.000 TRP 303 1.040 -26.694 2.535 32.117 -99.200 -91.000 TRP6 303 1.020 -28.114 1.157 33.416 -99.200 -91.000 HIS 305 0.900 -27.520 4.725 28.149 -99.200 -91.000 PHE 313 1.000 -40.628 -2.747 15.016 -99.200 -91.000 TYR 316 0.840 -31.911 1.545 27.684 -99.200 -91.000 PHE 319 1.000 -22.688 -3.345 27.354 -99.200 -91.000 TYR 335 0.840 -41.213 1.554 25.598 -99.200 -91.000 TRP 345 1.040 -30.575 2.246 38.048 -99.200 -91.000 TRP6 345 1.020 -31.540 2.253 40.200 -99.200 -91.000