============================================================================= 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. TYR 10 0.840 2.453 10.281 -10.512 -99.200 -91.000 TRP 28 1.040 12.101 -13.833 -25.387 -99.200 -91.000 TRP6 28 1.020 11.214 -13.543 -27.562 -99.200 -91.000 TRP 29 1.040 9.723 -8.835 -27.870 -99.200 -91.000 TRP6 29 1.020 9.413 -9.893 -29.961 -99.200 -91.000 PHE 36 1.000 15.314 -11.633 -38.919 -99.200 -91.000 PHE 40 1.000 19.063 -10.558 -43.696 -99.200 -91.000 HIS 44 0.900 24.178 -9.616 -46.901 -99.200 -91.000 PHE 46 1.000 27.583 -19.166 -46.022 -99.200 -91.000 PHE 47 1.000 20.887 -17.258 -49.844 -99.200 -91.000 TRP 60 1.040 18.894 -20.679 -60.461 -99.200 -91.000 TRP6 60 1.020 19.581 -21.930 -58.576 -99.200 -91.000 PHE 65 1.000 17.359 -15.173 -51.764 -99.200 -91.000 PHE 69 1.000 9.850 -20.535 -56.002 -99.200 -91.000 PHE 71 1.000 4.481 -13.162 -58.397 -99.200 -91.000 PHE 81 1.000 5.785 -5.887 -49.943 -99.200 -91.000 PHE 85 1.000 10.534 -9.427 -40.858 -99.200 -91.000 PHE 87 1.000 15.868 0.829 -42.962 -99.200 -91.000 PHE 90 1.000 20.280 -1.471 -38.929 -99.200 -91.000 HIS 93 0.900 20.127 -5.517 -32.118 -99.200 -91.000 PHE 95 1.000 12.973 2.195 -28.813 -99.200 -91.000 PHE 101 1.000 25.141 2.329 -28.039 -99.200 -91.000 TYR 105 0.840 34.063 13.178 -18.491 -99.200 -91.000 TYR 108 0.840 33.718 7.431 -24.113 -99.200 -91.000 PHE 111 1.000 32.908 -0.620 -20.503 -99.200 -91.000 HIS 114 0.900 36.796 -2.260 -15.028 -99.200 -91.000 HIS 120 0.900 37.233 -10.220 -19.035 -99.200 -91.000 TRP 126 1.040 28.890 -4.611 -24.072 -99.200 -91.000 TRP6 126 1.020 29.033 -2.304 -23.576 -99.200 -91.000 TRP 127 1.040 35.226 0.568 -26.532 -99.200 -91.000 TRP6 127 1.020 34.119 2.207 -25.233 -99.200 -91.000 PHE 134 1.000 27.349 6.649 -32.538 -99.200 -91.000 PHE 137 1.000 21.852 4.051 -33.908 -99.200 -91.000 PHE 138 1.000 25.664 7.891 -37.501 -99.200 -91.000 HIS 143 0.900 23.256 -3.053 -48.397 -99.200 -91.000 TYR 145 0.840 15.142 4.896 -48.772 -99.200 -91.000 PHE 161 1.000 26.523 2.182 -62.741 -99.200 -91.000 TRP 167 1.040 33.172 6.985 -56.337 -99.200 -91.000 TRP6 167 1.020 35.375 6.937 -55.487 -99.200 -91.000 TRP 169 1.040 34.973 1.967 -53.732 -99.200 -91.000 TRP6 169 1.020 36.860 2.398 -52.376 -99.200 -91.000 TYR 172 0.840 27.925 -2.266 -50.353 -99.200 -91.000 PHE 177 1.000 37.469 -5.594 -42.439 -99.200 -91.000 HIS 182 0.900 26.802 -5.098 -33.131 -99.200 -91.000 TYR 188 0.840 31.725 -15.530 -26.453 -99.200 -91.000 TRP 194 1.040 19.618 -15.115 -23.637 -99.200 -91.000 TRP6 194 1.020 17.967 -14.442 -22.087 -99.200 -91.000 TRP 196 1.040 19.586 -20.426 -25.459 -99.200 -91.000 TRP6 196 1.020 20.261 -18.762 -26.997 -99.200 -91.000 PHE 197 1.000 23.957 -23.914 -28.050 -99.200 -91.000 PHE 219 1.000 33.900 -19.512 -44.621 -99.200 -91.000 PHE 228 1.000 35.413 -4.128 -51.187 -99.200 -91.000 TYR 231 0.840 29.207 -8.270 -55.600 -99.200 -91.000 TYR 245 0.840 28.183 -0.868 -67.902 -99.200 -91.000 TYR 247 0.840 17.602 1.311 -63.486 -99.200 -91.000 PHE 248 1.000 23.636 -5.922 -69.507 -99.200 -91.000 TYR 250 0.840 13.514 -4.447 -64.334 -99.200 -91.000 HIS 254 0.900 9.727 -7.249 -69.821 -99.200 -91.000