============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. TYR 15 0.840 -0.577 40.975 68.595 -99.200 -91.000 TYR 20 0.840 0.155 36.095 77.555 -99.200 -91.000 TYR 21 0.840 6.040 40.239 72.637 -99.200 -91.000 PHE 33 1.000 18.707 38.894 69.492 -99.200 -91.000 PHE 37 1.000 11.660 34.504 78.878 -99.200 -91.000 TRP 45 1.040 15.546 26.968 68.633 -99.200 -91.000 TRP6 45 1.020 16.790 25.983 66.865 -99.200 -91.000 TYR 55 0.840 14.951 30.597 54.338 -99.200 -91.000 TYR 60 0.840 9.428 42.159 56.530 -99.200 -91.000 HIS 61 0.900 10.304 38.143 63.518 -99.200 -91.000 PHE 64 1.000 24.779 36.574 68.245 -99.200 -91.000 TYR 72 0.840 30.316 33.823 67.555 -99.200 -91.000 HIS 74 0.900 32.742 28.138 64.381 -99.200 -91.000 TYR 83 0.840 6.178 25.082 64.019 -99.200 -91.000 PHE 91 1.000 25.336 29.630 62.740 -99.200 -91.000 PHE 108 1.000 23.339 32.207 70.899 -99.200 -91.000 PHE 119 1.000 8.202 29.373 63.088 -99.200 -91.000 PHE 124 1.000 7.214 34.953 69.627 -99.200 -91.000 PHE 132 1.000 12.309 18.592 83.488 -99.200 -91.000 PHE 144 1.000 15.443 27.437 86.573 -99.200 -91.000 PHE 158 1.000 10.795 27.409 85.024 -99.200 -91.000 PHE 160 1.000 6.708 30.911 82.370 -99.200 -91.000 TYR 161 0.840 0.069 38.242 86.319 -99.200 -91.000 TYR 162 0.840 1.879 33.474 79.886 -99.200 -91.000 HIS 181 0.900 2.126 40.311 89.522 -99.200 -91.000 TYR 182 0.840 1.062 33.319 94.832 -99.200 -91.000 PHE 186 1.000 2.110 28.853 94.011 -99.200 -91.000 HIS 187 0.900 -3.125 20.154 94.866 -99.200 -91.000 TYR 188 0.840 3.585 23.308 94.993 -99.200 -91.000 TRP 197 1.040 8.882 21.945 82.770 -99.200 -91.000 TRP6 197 1.020 9.100 21.737 85.116 -99.200 -91.000 TYR 227 0.840 -5.481 29.751 70.807 -99.200 -91.000 PHE 249 1.000 -7.966 28.803 58.780 -99.200 -91.000 TYR 251 0.840 -14.329 23.545 67.343 -99.200 -91.000 PHE 266 1.000 -9.385 21.940 81.499 -99.200 -91.000 HIS 267 0.900 -10.082 15.035 89.815 -99.200 -91.000 TYR 273 0.840 -6.081 23.052 89.617 -99.200 -91.000 TYR 280 0.840 -15.198 28.197 78.096 -99.200 -91.000 PHE 282 1.000 -9.713 34.743 72.633 -99.200 -91.000 TYR 286 0.840 -20.931 41.067 76.976 -99.200 -91.000 HIS 297 0.900 -7.879 27.588 68.388 -99.200 -91.000 TRP 309 1.040 -6.811 16.737 77.071 -99.200 -91.000 TRP6 309 1.020 -8.602 18.202 76.624 -99.200 -91.000 PHE 315 1.000 -5.077 25.153 83.964 -99.200 -91.000 PHE 319 1.000 -6.932 27.745 87.834 -99.200 -91.000 TYR 320 0.840 2.437 33.397 89.928 -99.200 -91.000 PHE 323 1.000 5.800 25.705 84.477 -99.200 -91.000 PHE 332 1.000 -1.389 24.211 87.412 -99.200 -91.000 HIS 337 0.900 -5.713 38.220 86.024 -99.200 -91.000