============================================================================= 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 16.225 -13.712 33.830 -99.200 -91.000 TYR 31 0.840 32.172 -14.570 37.905 -99.200 -91.000 TYR 36 0.840 27.945 -18.143 33.234 -99.200 -91.000 TYR 37 0.840 26.052 -16.870 25.204 -99.200 -91.000 PHE 38 1.000 21.567 -14.522 31.721 -99.200 -91.000 TRP 40 1.040 14.613 -11.324 29.085 -99.200 -91.000 TRP6 40 1.020 16.951 -10.964 29.209 -99.200 -91.000 TYR 42 0.840 7.718 -12.529 20.184 -99.200 -91.000 PHE 57 1.000 19.738 -8.662 18.917 -99.200 -91.000 PHE 66 1.000 33.672 -6.265 15.960 -99.200 -91.000 TYR 89 0.840 48.573 5.858 5.019 -99.200 -91.000 TRP 90 1.040 41.919 10.422 -0.945 -99.200 -91.000 TRP6 90 1.020 39.757 10.379 0.012 -99.200 -91.000 TRP 98 1.040 41.890 17.616 4.609 -99.200 -91.000 TRP6 98 1.020 41.160 15.891 6.044 -99.200 -91.000 HIS 105 0.900 45.673 15.064 14.952 -99.200 -91.000 TYR 109 0.840 35.528 9.296 17.748 -99.200 -91.000 PHE 131 1.000 32.112 15.111 4.482 -99.200 -91.000 TYR 132 0.840 36.388 12.859 4.586 -99.200 -91.000 TRP 135 1.040 35.600 19.415 8.155 -99.200 -91.000 TRP6 135 1.020 37.843 18.980 8.831 -99.200 -91.000 TRP 139 1.040 36.839 23.403 17.658 -99.200 -91.000 TRP6 139 1.020 35.630 21.376 17.688 -99.200 -91.000 TYR 147 0.840 30.679 8.583 18.377 -99.200 -91.000 PHE 155 1.000 42.460 4.415 12.187 -99.200 -91.000 PHE 167 1.000 36.630 -1.382 7.533 -99.200 -91.000 PHE 176 1.000 34.067 -9.283 11.276 -99.200 -91.000 HIS 183 0.900 27.317 -18.220 12.755 -99.200 -91.000 TRP 185 1.040 27.008 -12.437 9.111 -99.200 -91.000 TRP6 185 1.020 28.218 -13.992 7.818 -99.200 -91.000 TYR 196 0.840 19.723 -7.721 9.459 -99.200 -91.000 TRP 198 1.040 12.237 -7.570 10.079 -99.200 -91.000 TRP6 198 1.020 12.787 -6.162 8.252 -99.200 -91.000 TYR 200 0.840 10.213 -4.461 15.378 -99.200 -91.000 HIS 207 0.900 16.699 -5.516 8.559 -99.200 -91.000 TYR 218 0.840 26.554 3.960 9.630 -99.200 -91.000 TRP 230 1.040 34.532 -7.056 19.787 -99.200 -91.000 TRP6 230 1.020 36.589 -7.096 18.583 -99.200 -91.000 TYR 256 0.840 45.959 5.963 21.257 -99.200 -91.000 TRP 257 1.040 43.420 12.258 21.705 -99.200 -91.000 TRP6 257 1.020 44.749 14.179 21.324 -99.200 -91.000 TYR 263 0.840 41.940 8.430 31.216 -99.200 -91.000 TRP 268 1.040 37.639 -1.570 22.604 -99.200 -91.000 TRP6 268 1.020 35.534 -2.453 23.218 -99.200 -91.000 TRP 273 1.040 36.240 -1.489 38.761 -99.200 -91.000 TRP6 273 1.020 33.919 -1.204 38.399 -99.200 -91.000 TRP 309 1.040 32.586 1.096 32.289 -99.200 -91.000 TRP6 309 1.020 31.205 -0.419 33.459 -99.200 -91.000 HIS 311 0.900 31.706 3.215 28.429 -99.200 -91.000 PHE 319 1.000 18.604 -3.952 15.034 -99.200 -91.000 TYR 322 0.840 27.345 0.062 27.777 -99.200 -91.000 PHE 325 1.000 36.716 -4.778 27.533 -99.200 -91.000 TYR 341 0.840 17.994 0.267 25.657 -99.200 -91.000 TRP 351 1.040 28.360 0.830 38.177 -99.200 -91.000 TRP6 351 1.020 27.179 0.796 40.223 -99.200 -91.000