============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. TRP 12 1.040 0.761 7.078 55.077 -99.200 -91.000 TRP6 12 1.020 -1.182 8.175 55.858 -99.200 -91.000 TRP 16 1.040 -2.544 -2.274 67.493 -99.200 -91.000 TRP6 16 1.020 -3.819 -3.453 65.884 -99.200 -91.000 HIS 17 0.900 3.450 -4.667 64.563 -99.200 -91.000 PHE 20 1.000 -3.347 -11.594 63.647 -99.200 -91.000 TYR 29 0.840 -2.339 -5.741 70.255 -99.200 -91.000 TRP 30 1.040 -6.745 -9.261 67.821 -99.200 -91.000 TRP6 30 1.020 -7.712 -8.118 65.997 -99.200 -91.000 PHE 32 1.000 -11.255 -15.249 69.904 -99.200 -91.000 TYR 40 0.840 -23.488 -7.770 70.979 -99.200 -91.000 TRP 45 1.040 -23.653 -12.253 64.554 -99.200 -91.000 TRP6 45 1.020 -22.960 -11.060 66.470 -99.200 -91.000 TYR 52 0.840 -23.114 -20.245 69.203 -99.200 -91.000 TYR 53 0.840 -19.398 -14.548 63.964 -99.200 -91.000 TYR 59 0.840 -6.583 -23.020 63.219 -99.200 -91.000 PHE 82 1.000 -27.769 -20.421 65.886 -99.200 -91.000 TYR 84 0.840 -23.388 -23.709 57.557 -99.200 -91.000 PHE 97 1.000 -5.726 1.464 65.464 -99.200 -91.000 TRP 116 1.040 -20.539 -10.920 54.115 -99.200 -91.000 TRP6 116 1.020 -22.628 -10.373 55.076 -99.200 -91.000 PHE 119 1.000 -8.792 -4.992 57.831 -99.200 -91.000 TRP 120 1.040 -16.496 -5.711 59.910 -99.200 -91.000 TRP6 120 1.020 -18.350 -4.880 61.111 -99.200 -91.000 TRP 131 1.040 -24.090 0.114 61.851 -99.200 -91.000 TRP6 131 1.020 -25.760 -0.292 60.215 -99.200 -91.000 PHE 142 1.000 -13.900 -13.605 48.631 -99.200 -91.000 HIS 145 0.900 -21.499 -15.053 45.031 -99.200 -91.000 HIS 151 0.900 -18.609 -6.188 46.606 -99.200 -91.000 HIS 155 0.900 -22.587 -0.026 55.583 -99.200 -91.000 TYR 159 0.840 -23.284 8.306 55.231 -99.200 -91.000 TYR 169 0.840 -9.254 -4.293 42.484 -99.200 -91.000 PHE 178 1.000 -9.486 -9.884 45.786 -99.200 -91.000 PHE 182 1.000 -1.799 -15.253 53.145 -99.200 -91.000 HIS 183 0.900 -4.948 -10.919 46.380 -99.200 -91.000 PHE 185 1.000 -8.117 -8.058 50.727 -99.200 -91.000 TRP 189 1.040 -10.575 7.287 58.724 -99.200 -91.000 TRP6 189 1.020 -10.709 6.250 60.840 -99.200 -91.000 TYR 190 0.840 -5.580 11.159 53.846 -99.200 -91.000 TRP 196 1.040 -12.730 1.297 51.187 -99.200 -91.000 TRP6 196 1.020 -13.828 3.390 51.269 -99.200 -91.000 TYR 197 0.840 -4.116 0.341 50.886 -99.200 -91.000 PHE 202 1.000 -4.842 4.225 47.326 -99.200 -91.000 TYR 203 0.840 -11.419 -1.096 46.463 -99.200 -91.000 HIS 204 0.900 -15.842 3.478 47.481 -99.200 -91.000 TYR 216 0.840 -27.981 11.197 53.461 -99.200 -91.000 TRP 218 1.040 -16.546 12.653 57.318 -99.200 -91.000 TRP6 218 1.020 -16.067 11.138 55.559 -99.200 -91.000 PHE 220 1.000 -17.687 7.260 57.968 -99.200 -91.000 PHE 224 1.000 -15.293 4.868 62.517 -99.200 -91.000 TYR 225 0.840 -15.497 -1.393 67.660 -99.200 -91.000 TYR 235 0.840 -31.187 -9.011 51.322 -99.200 -91.000 TRP 236 1.040 -26.211 -7.408 51.787 -99.200 -91.000 TRP6 236 1.020 -26.871 -5.920 50.071 -99.200 -91.000 PHE 246 1.000 -19.