============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 93 rings ring int. center anis. iso. PHE 3 1.000 -12.138 68.338 30.422 -99.200 -91.000 PHE 7 1.000 -11.318 62.759 29.966 -99.200 -91.000 TYR 8 0.840 -4.452 63.354 25.163 -99.200 -91.000 TYR 15 0.840 5.376 43.359 28.909 -99.200 -91.000 PHE 43 1.000 -9.815 35.587 29.510 -99.200 -91.000 PHE 45 1.000 -12.491 34.775 18.647 -99.200 -91.000 PHE 52 1.000 -13.627 44.360 13.583 -99.200 -91.000 HIS 54 0.900 -21.224 44.774 19.923 -99.200 -91.000 HIS 63 0.900 -24.117 69.471 7.877 -99.200 -91.000 HIS 70 0.900 -9.152 69.412 20.110 -99.200 -91.000 PHE 73 1.000 -13.756 84.457 19.980 -99.200 -91.000 TYR 76 0.840 -10.003 90.732 17.155 -99.200 -91.000 TRP 79 1.040 -16.834 92.385 21.857 -99.200 -91.000 TRP6 79 1.020 -17.097 94.113 20.285 -99.200 -91.000 PHE 87 1.000 -18.269 83.799 23.175 -99.200 -91.000 PHE 98 1.000 -13.140 69.002 17.658 -99.200 -91.000 PHE 101 1.000 -13.828 73.909 9.070 -99.200 -91.000 HIS 118 0.900 -18.591 72.124 1.344 -99.200 -91.000 PHE 120 1.000 -16.618 78.004 9.453 -99.200 -91.000 PHE 124 1.000 -17.308 80.622 20.099 -99.200 -91.000 TYR 125 0.840 -14.844 72.426 24.231 -99.200 -91.000 PHE 131 1.000 -22.723 80.828 21.548 -99.200 -91.000 PHE 141 1.000 -30.591 74.221 5.242 -99.200 -91.000 PHE 142 1.000 -30.458 73.564 -0.239 -99.200 -91.000 PHE 149 1.000 -32.519 68.986 7.833 -99.200 -91.000 HIS 154 0.900 -36.930 61.191 4.037 -99.200 -91.000 HIS 171 0.900 -31.082 62.539 -6.472 -99.200 -91.000 TRP 175 1.040 -31.756 69.284 -9.994 -99.200 -91.000 TRP6 175 1.020 -31.365 71.586 -10.341 -99.200 -91.000 PHE 177 1.000 -37.820 70.083 -1.007 -99.200 -91.000 PHE 178 1.000 -32.675 71.310 -5.129 -99.200 -91.000 HIS 186 0.900 -30.134 84.076 -1.456 -99.200 -91.000 TRP 190 1.040 -25.533 82.227 -1.657 -99.200 -91.000 TRP6 190 1.020 -23.696 83.222 -0.515 -99.200 -91.000 HIS 194 0.900 -19.702 81.129 -2.117 -99.200 -91.000 PHE 200 1.000 -13.433 70.760 5.099 -99.200 -91.000 HIS 202 0.900 -7.721 78.110 0.898 -99.200 -91.000 PHE 206 1.000 -21.651 83.288 5.340 -99.200 -91.000 HIS 209 0.900 -31.356 79.311 11.872 -99.200 -91.000 PHE 211 1.000 -28.538 82.010 16.333 -99.200 -91.000 PHE 225 1.000 -23.904 84.762 16.611 -99.200 -91.000 HIS 226 0.900 -21.713 87.692 8.407 -99.200 -91.000 TRP 227 1.040 -17.490 81.280 12.756 -99.200 -91.000 TRP6 227 1.020 -16.070 81.912 14.558 -99.200 -91.000 PHE 236 1.000 -11.070 72.035 -5.717 -99.200 -91.000 TRP 238 1.040 -19.389 68.795 -12.133 -99.200 -91.000 TRP6 238 1.020 -19.748 67.997 -9.952 -99.200 -91.000 PHE 251 1.000 -7.167 68.647 -2.490 -99.200 -91.000 PHE 256 1.000 -2.841 65.018 10.208 -99.200 -91.000 PHE 264 1.000 -0.792 76.497 14.334 -99.200 -91.000 TRP 267 1.040 -12.671 80.847 8.995 -99.200 -91.000 TRP6 267 1.020 -11.242 79.008 9.401 -99.200 -91.000 PHE 282 1.000 -32.464 95.963 7.368 -99.200 -91.000 PHE 284 1.000 -33.882 91.049 4.056 -99.200 -91.000 TYR 314 0.840 -