============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. TYR 9 0.840 10.141 11.277 30.971 -99.200 -91.000 PHE 16 1.000 20.267 5.079 41.202 -99.200 -91.000 HIS 27 0.900 2.368 -8.486 36.277 -99.200 -91.000 TYR 75 0.840 24.988 -4.026 24.802 -99.200 -91.000 HIS 84 0.900 35.436 -2.408 22.631 -99.200 -91.000 HIS 95 0.900 22.321 -14.010 36.035 -99.200 -91.000 PHE 98 1.000 30.302 -10.205 38.401 -99.200 -91.000 TYR 111 0.840 31.341 -3.912 37.259 -99.200 -91.000 HIS 120 0.900 14.091 -16.577 38.390 -99.200 -91.000 PHE 121 1.000 20.006 -19.168 34.919 -99.200 -91.000 TYR 132 0.840 32.304 -10.147 43.830 -99.200 -91.000 PHE 146 1.000 20.560 -9.762 43.959 -99.200 -91.000 PHE 158 1.000 -1.296 -22.630 37.514 -99.200 -91.000 TRP 177 1.040 1.982 -36.111 17.546 -99.200 -91.000 TRP6 177 1.020 3.548 -34.379 17.913 -99.200 -91.000 PHE 181 1.000 -0.281 -36.801 22.178 -99.200 -91.000 TRP 183 1.040 -3.783 -31.810 22.095 -99.200 -91.000 TRP6 183 1.020 -2.067 -30.502 23.080 -99.200 -91.000 TYR 187 0.840 -3.044 -22.015 19.345 -99.200 -91.000 TRP 193 1.040 6.607 -28.868 23.164 -99.200 -91.000 TRP6 193 1.020 5.355 -30.189 21.674 -99.200 -91.000 PHE 194 1.000 9.561 -22.666 27.511 -99.200 -91.000 PHE 223 1.000 20.650 -15.879 21.270 -99.200 -91.000 TYR 227 0.840 15.589 -14.281 20.905 -99.200 -91.000 TRP 235 1.040 7.882 -17.159 15.053 -99.200 -91.000 TRP6 235 1.020 6.834 -17.953 17.024 -99.200 -91.000 PHE 237 1.000 3.529 -25.749 16.816 -99.200 -91.000 PHE 250 1.000 10.150 -17.054 22.575 -99.200 -91.000 TYR 305 0.840 1.580 -23.161 31.564 -99.200 -91.000 PHE 307 1.000 -1.210 -27.249 33.898 -99.200 -91.000 HIS 318 0.900 20.126 -28.994 39.993 -99.200 -91.000 HIS 320 0.900 20.331 -25.983 41.388 -99.200 -91.000 TRP 321 1.040 20.162 -25.627 45.845 -99.200 -91.000 TRP6 321 1.020 19.869 -23.333 45.376 -99.200 -91.000 TYR 332 0.840 40.190 -15.895 47.944 -99.200 -91.000 PHE 342 1.000 19.731 -12.602 47.878 -99.200 -91.000 PHE 356 1.000 32.296 -27.728 48.837 -99.200 -91.000 PHE 366 1.000 36.630 -25.053 40.874 -99.200 -91.000 TRP 378 1.040 30.811 -33.471 42.646 -99.200 -91.000 TRP6 378 1.020 31.587 -35.517 41.757 -99.200 -91.000 TYR 381 0.840 36.297 -29.048 45.543 -99.200 -91.000 TYR 390 0.840 42.957 -28.094 31.033 -99.200 -91.000 TRP 395 1.040 41.431 -36.625 35.783 -99.200 -91.000 TRP6 395 1.020 39.094 -36.799 35.534 -99.200 -91.000 PHE 397 1.000 43.155 -42.448 30.357 -99.200 -91.000 TRP 415 1.040 43.795 -46.401 20.272 -99.200 -91.000 TRP6 415 1.020 41.531 -47.089 20.301 -99.200 -91.000 TRP 428 1.040 37.059 -37.968 42.001 -99.200 -91.000 TRP6 428 1.020 39.256 -37.440 41.287 -99.200 -91.000 TYR 434 0.840 28.800 -41.406 32.931 -99.200 -91.000 PHE 443 1.000 35.421 -37.549 30.744 -99.200 -91.000 PHE 446 1.000 39.675 -33.288 30.418 -99.200 -91.000