============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. HIS 3 0.900 50.328 -83.238 -41.096 -99.200 -91.000 TYR 16 0.840 54.958-102.417 -37.190 -99.200 -91.000 PHE 20 1.000 58.430-105.028 -34.116 -99.200 -91.000 TYR 29 0.840 54.637 -82.785 -19.499 -99.200 -91.000 HIS 43 0.900 48.276 -94.263 -33.204 -99.200 -91.000 PHE 44 1.000 53.001 -94.834 -28.887 -99.200 -91.000 PHE 65 1.000 64.433 -95.961 -1.358 -99.200 -91.000 PHE 67 1.000 59.688 -96.526 -4.759 -99.200 -91.000 PHE 76 1.000 47.867 -93.799 -19.486 -99.200 -91.000 PHE 86 1.000 63.079 -98.794 -12.589 -99.200 -91.000 HIS 87 0.900 66.084 -94.642 -19.021 -99.200 -91.000 TRP 91 1.040 72.955 -93.496 -17.638 -99.200 -91.000 TRP6 91 1.020 71.214 -92.019 -18.203 -99.200 -91.000 HIS 92 0.900 77.495 -92.455 -17.790 -99.200 -91.000 TRP 98 1.040 72.466 -90.765 -2.068 -99.200 -91.000 TRP6 98 1.020 72.485 -93.089 -1.587 -99.200 -91.000 PHE 99 1.000 73.330 -94.807 -5.141 -99.200 -91.000 PHE 100 1.000 78.940 -92.983 -7.524 -99.200 -91.000 HIS 131 0.900 68.427 -96.845 -6.506 -99.200 -91.000 TYR 139 0.840 57.484 -99.341 -9.011 -99.200 -91.000 TYR 145 0.840 59.521-106.894 -21.549 -99.200 -91.000 TRP 146 1.040 62.353-104.983 -14.067 -99.200 -91.000 TRP6 146 1.020 62.207-103.470 -12.247 -99.200 -91.000 TRP 164 1.040 77.423 -96.446 -10.699 -99.200 -91.000 TRP6 164 1.020 76.573 -97.241 -8.643 -99.200 -91.000 TYR 165 0.840 85.826-100.673 -14.652 -99.200 -91.000 TYR 172 0.840 79.195-100.716 -12.520 -99.200 -91.000 PHE 177 1.000 72.302-107.240 -15.787 -99.200 -91.000 TYR 183 0.840 66.585-108.409 -2.793 -99.200 -91.000 TYR 191 0.840 65.514-106.888 -21.864 -99.200 -91.000 TYR 195 0.840 75.992 -93.869 -26.206 -99.200 -91.000 TYR 207 0.840 79.469-111.792 -29.103 -99.200 -91.000 HIS 225 0.900 70.474-103.836 -29.737 -99.200 -91.000 HIS 228 0.900 68.554 -92.095 -28.067 -99.200 -91.000 TRP 233 1.040 76.277 -94.188 -37.788 -99.200 -91.000 TRP6 233 1.020 75.510 -93.683 -35.627 -99.200 -91.000 PHE 246 1.000 74.925-107.654 -28.547 -99.200 -91.000 TYR 263 0.840 68.421 -81.126 -37.259 -99.200 -91.000 TRP 265 1.040 77.487 -86.410 -32.228 -99.200 -91.000 TRP6 265 1.020 75.826 -85.689 -30.726 -99.200 -91.000 TYR 270 0.840 66.761 -76.682 -41.376 -99.200 -91.000 TYR 273 0.840 57.850 -80.199 -36.974 -99.200 -91.000 PHE 281 1.000 59.364 -82.878 -41.627 -99.200 -91.000 TYR 288 0.840 60.881 -93.459 -38.162 -99.200 -91.000 PHE 292 1.000 59.304 -99.265 -36.919 -99.200 -91.000 TYR 295 0.840 63.869-101.781 -35.799 -99.200 -91.000 PHE 307 1.000 58.477 -95.074 -32.742 -99.200 -91.000 TRP 308 1.040 64.007 -91.186 -24.599 -99.200 -91.000 TRP6 308 1.020 63.740 -92.999 -23.099 -99.200 -91.000 HIS 314 0.900 58.667 -83.683 -23.834 -99.200 -91.000 TRP 316 1.040 66.620 -87.605 -26.343 -99.200 -91.000 TRP6 316 1.020 68.933 -87.823 -25.826 -99.200 -91.000 TYR 324 0.840 76.622 -75.226 -35.147 -99.200 -91.000 TYR 325 0.840 71.139 -68.267 -35.324 -99.200 -91.000 TYR 339 0.840 7