============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. TYR 9 0.840 -14.865 -61.246 7.202 -99.200 -91.000 TRP 28 1.040 -31.114 -57.196 27.579 -99.200 -91.000 TRP6 28 1.020 -31.301 -58.633 29.456 -99.200 -91.000 TRP 34 1.040 -20.534 -66.987 26.385 -99.200 -91.000 TRP6 34 1.020 -19.890 -68.129 28.360 -99.200 -91.000 PHE 38 1.000 -14.500 -61.876 20.545 -99.200 -91.000 PHE 47 1.000 -15.804 -50.668 19.056 -99.200 -91.000 PHE 59 1.000 -11.865 -45.806 42.692 -99.200 -91.000 TYR 64 0.840 -7.001 -54.240 48.186 -99.200 -91.000 PHE 67 1.000 -3.262 -57.022 45.392 -99.200 -91.000 PHE 71 1.000 -5.349 -53.208 36.542 -99.200 -91.000 HIS 78 0.900 -2.424 -60.646 27.748 -99.200 -91.000 PHE 79 1.000 -8.432 -52.324 28.913 -99.200 -91.000 HIS 83 0.900 -8.710 -50.467 19.331 -99.200 -91.000 HIS 86 0.900 -6.040 -40.418 30.322 -99.200 -91.000 TYR 87 0.840 -3.265 -48.336 31.574 -99.200 -91.000 TYR 88 0.840 -8.775 -41.370 33.309 -99.200 -91.000 PHE 90 1.000 -10.088 -41.975 40.144 -99.200 -91.000 PHE 119 1.000 -13.344 -40.458 34.485 -99.200 -91.000 TYR 125 0.840 -17.219 -47.079 23.912 -99.200 -91.000 PHE 135 1.000 -6.403 -56.582 32.052 -99.200 -91.000 HIS 138 0.900 -8.628 -59.375 22.449 -99.200 -91.000 PHE 148 1.000 -18.259 -53.363 29.917 -99.200 -91.000 HIS 152 0.900 -19.511 -63.484 41.576 -99.200 -91.000 PHE 155 1.000 -22.906 -66.545 43.525 -99.200 -91.000 TYR 156 0.840 -20.308 -70.300 35.091 -99.200 -91.000 PHE 163 1.000 -28.594 -65.222 39.883 -99.200 -91.000 TYR 165 0.840 -30.268 -60.724 42.059 -99.200 -91.000 TYR 174 0.840 -37.402 -56.732 47.827 -99.200 -91.000 PHE 182 1.000 -27.939 -62.981 32.222 -99.200 -91.000 TYR 183 0.840 -24.610 -61.556 42.498 -99.200 -91.000 TYR 184 0.840 -25.798 -58.249 35.090 -99.200 -91.000 PHE 188 1.000 -14.020 -56.368 32.859 -99.200 -91.000 PHE 189 1.000 -18.799 -50.431 37.173 -99.200 -91.000 HIS 204 0.900 -21.253 -42.512 44.047 -99.200 -91.000 TRP 219 1.040 -22.573 -60.326 48.868 -99.200 -91.000 TRP6 219 1.020 -20.369 -60.663 49.687 -99.200 -91.000 HIS 220 0.900 -20.775 -54.065 51.757 -99.200 -91.000 HIS 224 0.900 -27.351 -50.057 46.716 -99.200 -91.000 TYR 228 0.840 -28.286 -48.084 36.397 -99.200 -91.000 HIS 232 0.900 -31.795 -48.139 35.009 -99.200 -91.000 TYR 242 0.840 -14.335 -60.656 28.182 -99.200 -91.000 TRP 244 1.040 -12.134 -68.799 36.225 -99.200 -91.000 TRP6 244 1.020 -14.419 -69.400 36.081 -99.200 -91.000 TRP 251 1.040 -9.422 -73.064 31.526 -99.200 -91.000 TRP6 251 1.020 -7.245 -72.379 30.914 -99.200 -91.000 PHE 260 1.000 -9.156 -57.960 35.163 -99.200 -91.000