============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 97 rings ring int. center anis. iso. TYR 24 0.840 -23.011 45.282 58.424 -99.200 -91.000 HIS 35 0.900 -11.462 29.532 63.916 -99.200 -91.000 TYR 61 0.840 -27.497 41.577 74.430 -99.200 -91.000 HIS 68 0.900 -25.492 24.060 80.281 -99.200 -91.000 TYR 72 0.840 -26.136 28.915 70.055 -99.200 -91.000 TYR 73 0.840 -29.984 35.839 74.267 -99.200 -91.000 TYR 92 0.840 -17.692 27.678 63.539 -99.200 -91.000 TYR 93 0.840 -20.377 24.525 67.930 -99.200 -91.000 PHE 98 1.000 -27.619 35.796 61.804 -99.200 -91.000 TYR 115 0.840 -27.921 23.592 77.408 -99.200 -91.000 TYR 120 0.840 -14.770 15.856 74.567 -99.200 -91.000 PHE 127 1.000 -13.879 3.769 56.783 -99.200 -91.000 TYR 128 0.840 -10.730 -3.637 60.258 -99.200 -91.000 TRP 132 1.040 -14.410 8.508 54.590 -99.200 -91.000 TRP6 132 1.020 -15.229 9.733 56.436 -99.200 -91.000 HIS 134 0.900 -6.116 16.379 51.898 -99.200 -91.000 PHE 143 1.000 -22.787 17.201 56.502 -99.200 -91.000 TYR 144 0.840 -17.029 15.684 60.359 -99.200 -91.000 TYR 152 0.840 -11.506 13.139 60.761 -99.200 -91.000 TYR 154 0.840 -6.005 9.739 59.690 -99.200 -91.000 TYR 161 0.840 3.276 5.689 56.637 -99.200 -91.000 HIS 162 0.900 -5.015 4.242 63.213 -99.200 -91.000 TRP 167 1.040 2.581 0.595 65.797 -99.200 -91.000 TRP6 167 1.020 3.918 1.360 67.610 -99.200 -91.000 TYR 171 0.840 0.536 9.539 58.848 -99.200 -91.000 PHE 193 1.000 -6.696 15.122 62.069 -99.200 -91.000 TRP 195 1.040 -2.799 10.416 63.459 -99.200 -91.000 TRP6 195 1.020 -1.206 8.997 64.493 -99.200 -91.000 HIS 198 0.900 -5.504 -1.113 65.614 -99.200 -91.000 TRP 205 1.040 2.654 -4.670 76.770 -99.200 -91.000 TRP6 205 1.020 1.545 -2.655 76.232 -99.200 -91.000 PHE 217 1.000 0.010 9.478 70.514 -99.200 -91.000 TYR 221 0.840 2.242 19.934 70.277 -99.200 -91.000 PHE 228 1.000 -1.666 14.131 70.056 -99.200 -91.000 PHE 231 1.000 -9.096 4.570 68.002 -99.200 -91.000 PHE 232 1.000 -3.827 -0.279 73.579 -99.200 -91.000 TYR 251 0.840 6.244 7.657 79.407 -99.200 -91.000 PHE 256 1.000 2.343 14.415 73.158 -99.200 -91.000 TYR 273 0.840 -14.549 -3.587 70.034 -99.200 -91.000 TRP 277 1.040 -16.433 -9.153 70.554 -99.200 -91.000 TRP6 277 1.020 -14.678 -8.726 69.026 -99.200 -91.000 TYR 284 0.840 -9.235 -4.884 78.710 -99.200 -91.000 TRP 300 1.040 -19.844 0.029 76.055 -99.200 -91.000 TRP6 300 1.020 -18.517 -1.807 76.790 -99.200 -91.000 TRP 316 1.040 -22.507 -5.075 82.519 -99.200 -91.000 TRP6 316 1.020 -20.397 -5.303 81.456 -99.200 -91.000 TYR 326 0.840 -15.098 10.250 73.046 -99.200 -91.000 TRP 328 1.040 -16.290 3.095 67.091 -99.200 -91.000 TRP6 328 1.020 -13.948 2.994 66.831 -99.200 -91.000 TRP 329 1.040 -24.803 3.718 67.085 -99.200 -91.000 TRP6 329 1.020 -26.051 4.832 65.392 -99.200 -91.000 PHE 331 1.000 -26.794 3.196 60.495 -99.200 -91.000 TYR 336 0.840 -21.035 -5.169 59.881 -99.200 -91.000 HIS 340 0.900 -26.520 -5.496 51.870 -99.200 -91.000 TYR 347 0.