============================================================================= 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 90.592 -17.391 13.501 -99.200 -91.000 TYR 31 0.840 72.919 -18.906 11.147 -99.200 -91.000 TYR 36 0.840 75.832 -21.718 16.951 -99.200 -91.000 TYR 37 0.840 77.733 -19.167 24.422 -99.200 -91.000 PHE 38 1.000 82.539 -18.019 17.924 -99.200 -91.000 TRP 40 1.040 89.702 -14.525 20.021 -99.200 -91.000 TRP6 40 1.020 87.339 -14.292 19.806 -99.200 -91.000 TYR 42 0.840 96.334 -14.862 29.470 -99.200 -91.000 PHE 57 1.000 84.436 -10.198 29.401 -99.200 -91.000 PHE 66 1.000 70.703 -6.575 31.240 -99.200 -91.000 TYR 89 0.840 55.730 7.802 38.710 -99.200 -91.000 TRP 90 1.040 62.847 12.807 44.202 -99.200 -91.000 TRP6 90 1.020 64.863 13.192 43.032 -99.200 -91.000 TRP 98 1.040 63.078 19.197 37.839 -99.200 -91.000 TRP6 98 1.020 63.918 17.316 36.693 -99.200 -91.000 HIS 105 0.900 59.397 14.934 28.195 -99.200 -91.000 TYR 109 0.840 69.330 8.438 26.496 -99.200 -91.000 PHE 131 1.000 72.783 17.139 38.653 -99.200 -91.000 TYR 132 0.840 68.656 14.461 38.806 -99.200 -91.000 TRP 135 1.040 69.362 20.148 34.305 -99.200 -91.000 TRP6 135 1.020 67.157 19.851 33.510 -99.200 -91.000 TRP 139 1.040 68.494 22.688 23.689 -99.200 -91.000 TRP6 139 1.020 70.047 21.026 24.339 -99.200 -91.000 TYR 147 0.840 74.162 7.730 25.933 -99.200 -91.000 PHE 155 1.000 62.307 4.934 32.824 -99.200 -91.000 PHE 167 1.000 68.002 -0.038 38.618 -99.200 -91.000 PHE 176 1.000 70.230 -8.571 36.484 -99.200 -91.000 HIS 183 0.900 76.675 -18.154 36.751 -99.200 -91.000 TRP 185 1.040 75.718 -11.663 40.596 -99.200 -91.000 TRP6 185 1.020 74.316 -11.738 42.518 -99.200 -91.000 TYR 196 0.840 84.027 -7.434 38.445 -99.200 -91.000 TRP 198 1.040 91.473 -7.838 38.236 -99.200 -91.000 TRP6 198 1.020 91.015 -6.054 39.712 -99.200 -91.000 TYR 200 0.840 93.997 -5.905 32.439 -99.200 -91.000 HIS 207 0.900 87.216 -5.286 39.076 -99.200 -91.000 TYR 218 0.840 78.156 4.390 35.581 -99.200 -91.000 TRP 230 1.040 69.887 -8.038 27.636 -99.200 -91.000 TRP6 230 1.020 67.877 -7.725 28.833 -99.200 -91.000 TYR 256 0.840 58.897 4.746 23.662 -99.200 -91.000 TRP 257 1.040 61.554 10.770 22.049 -99.200 -91.000 TRP6 257 1.020 60.254 12.762 22.058 -99.200 -91.000 TYR 263 0.840 63.015 5.166 13.408 -99.200 -91.000 TRP 268 1.040 67.053 -3.070 23.839 -99.200 -91.000 TRP6 268 1.020 69.165 -4.088 23.459 -99.200 -91.000 TRP 273 1.040 68.484 -6.048 7.832 -99.200 -91.000 TRP6 273 1.020 70.803 -5.878 8.255 -99.200 -91.000 TRP 309 1.040 72.348 -2.463 13.990 -99.200 -91.000 TRP6 309 1.020 73.713 -4.201 13.141 -99.200 -91.000 HIS 311 0.900 73.225 0.323 17.350 -99.200 -91.000 PHE 319 1.000 85.726 -4.878 32.331 -99.200 -91.000 TYR 322 0.840 77.482 -2.846 18.730 -99.200 -91.000 PHE 325 1.000 67.989 -7.217 19.724 -99.200 -91.000 TYR 341 0.840 86.938 -2.747 21.212 -99.200 -91.000 TRP 351 1.040 76.422 -3.925 8.620 -99.200 -91.000 TRP6 351 1.020