============================================================================= 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 50.529 -83.289 -41.074 -99.200 -91.000 TYR 16 0.840 55.213-102.360 -37.255 -99.200 -91.000 PHE 20 1.000 58.637-104.999 -34.254 -99.200 -91.000 TYR 29 0.840 54.769 -82.824 -19.526 -99.200 -91.000 HIS 43 0.900 48.551 -94.321 -33.277 -99.200 -91.000 PHE 44 1.000 53.223 -94.815 -28.927 -99.200 -91.000 PHE 65 1.000 64.281 -96.143 -1.321 -99.200 -91.000 PHE 67 1.000 59.673 -96.709 -4.713 -99.200 -91.000 PHE 76 1.000 47.895 -93.788 -19.563 -99.200 -91.000 PHE 86 1.000 63.021 -98.876 -12.459 -99.200 -91.000 HIS 87 0.900 66.553 -95.432 -19.050 -99.200 -91.000 TRP 91 1.040 73.016 -93.483 -17.469 -99.200 -91.000 TRP6 91 1.020 71.364 -91.871 -18.004 -99.200 -91.000 HIS 92 0.900 77.488 -92.578 -17.544 -99.200 -91.000 TRP 98 1.040 72.291 -90.801 -2.083 -99.200 -91.000 TRP6 98 1.020 72.306 -93.121 -1.575 -99.200 -91.000 PHE 99 1.000 73.161 -95.001 -4.998 -99.200 -91.000 PHE 100 1.000 78.579 -93.222 -7.337 -99.200 -91.000 HIS 131 0.900 68.286 -97.012 -6.456 -99.200 -91.000 TYR 139 0.840 57.473 -99.527 -8.994 -99.200 -91.000 TYR 145 0.840 59.582-107.002 -21.539 -99.200 -91.000 TRP 146 1.040 62.330-105.098 -14.017 -99.200 -91.000 TRP6 146 1.020 62.200-103.550 -12.226 -99.200 -91.000 TRP 164 1.040 77.311 -96.683 -10.460 -99.200 -91.000 TRP6 164 1.020 76.434 -97.551 -8.422 -99.200 -91.000 TYR 165 0.840 85.680-100.751 -14.530 -99.200 -91.000 TYR 172 0.840 79.108-100.940 -12.443 -99.200 -91.000 PHE 177 1.000 72.228-107.362 -15.760 -99.200 -91.000 TYR 183 0.840 66.210-108.579 -2.877 -99.200 -91.000 TYR 191 0.840 65.579-106.847 -21.889 -99.200 -91.000 TYR 195 0.840 75.950 -93.794 -25.826 -99.200 -91.000 TYR 207 0.840 79.517-111.676 -29.130 -99.200 -91.000 HIS 225 0.900 70.573-103.711 -29.588 -99.200 -91.000 HIS 228 0.900 68.656 -91.997 -28.051 -99.200 -91.000 TRP 233 1.040 76.639 -93.879 -37.729 -99.200 -91.000 TRP6 233 1.020 75.768 -93.440 -35.564 -99.200 -91.000 PHE 246 1.000 75.067-107.583 -28.500 -99.200 -91.000 TYR 263 0.840 68.521 -81.073 -37.176 -99.200 -91.000 TRP 265 1.040 77.956 -86.243 -32.474 -99.200 -91.000 TRP6 265 1.020 76.306 -85.640 -30.892 -99.200 -91.000 TYR 270 0.840 66.845 -76.599 -41.329 -99.200 -91.000 TYR 273 0.840 58.016 -80.151 -37.016 -99.200 -91.000 PHE 281 1.000 59.500 -82.746 -41.654 -99.200 -91.000 TYR 288 0.840 61.091 -93.387 -38.169 -99.200 -91.000 PHE 292 1.000 59.527 -99.195 -36.980 -99.200 -91.000 TYR 295 0.840 63.947-101.697 -35.846 -99.200 -91.000 PHE 307 1.000 58.703 -95.007 -32.758 -99.200 -91.000 TRP 308 1.040 64.049 -91.125 -24.376 -99.200 -91.000 TRP6 308 1.020 63.941 -93.078 -23.001 -99.200 -91.000 HIS 314 0.900 58.746 -83.633 -23.898 -99.200 -91.000 TRP 316 1.040 66.643 -87.662 -26.269 -99.200 -91.000 TRP6 316 1.020 68.978 -87.753 -25.974 -99.200 -91.000 TYR 324 0.840 76.732 -75.264 -35.088 -99.200 -91.000 TYR 325 0.840 71.363 -68.312 -35.237 -99.200 -91.000 TYR 339 0.840 80.051 -72.193 -36.103 -99.200 -91.000 PHE 352 1.000 59.579 -88.730 -30.906 -99.200 -91.000 PHE 354 1.000 52.209 -91.365 -34.168 -99.200 -91.000 TYR 358 0.840 50.017 -84.339 -29.730 -99.200 -91.000 TYR 364 0.840 50.437 -93.476 -39.341 -99.200 -91.000 TRP 365 1.040 50.309 -91.480 -44.239 -99.200 -91.000 TRP6 365 1.020 48.367 -92.739 -43.697 -99.200 -91.000 HIS 370 0.900 50.524-104.516 -43.845 -99.200 -91.000