============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. TYR 13 0.840 -26.957 -9.451 29.014 -99.200 -91.000 HIS 20 0.900 -25.141 -23.256 16.401 -99.200 -91.000 TYR 34 0.840 -17.312 -4.765 30.965 -99.200 -91.000 PHE 41 1.000 -25.791 -28.437 27.975 -99.200 -91.000 TYR 55 0.840 -30.031 -22.523 42.595 -99.200 -91.000 TRP 72 1.040 -13.034 -23.766 38.679 -99.200 -91.000 TRP6 72 1.020 -12.417 -25.988 39.340 -99.200 -91.000 TYR 80 0.840 -22.466 -33.920 48.911 -99.200 -91.000 TRP 81 1.040 -25.030 -35.535 44.784 -99.200 -91.000 TRP6 81 1.020 -26.673 -34.997 46.430 -99.200 -91.000 TRP 99 1.040 -8.586 -17.378 34.871 -99.200 -91.000 TRP6 99 1.020 -6.311 -17.046 35.407 -99.200 -91.000 TYR 111 0.840 -0.194 -13.626 24.305 -99.200 -91.000 PHE 114 1.000 -3.942 -18.086 30.353 -99.200 -91.000 TYR 125 0.840 -10.280 -28.820 13.274 -99.200 -91.000 HIS 127 0.900 -17.596 -26.757 9.103 -99.200 -91.000 TYR 137 0.840 -13.413 -34.536 -4.962 -99.200 -91.000 TYR 148 0.840 -9.328 -22.322 7.486 -99.200 -91.000 HIS 150 0.900 -3.471 -28.727 10.000 -99.200 -91.000 PHE 157 1.000 -25.419 -33.260 4.770 -99.200 -91.000 TYR 160 0.840 -34.697 -44.825 12.178 -99.200 -91.000 PHE 161 1.000 -25.639 -43.873 12.436 -99.200 -91.000 TYR 166 0.840 -19.373 -42.989 9.806 -99.200 -91.000 PHE 174 1.000 -9.878 -40.239 6.184 -99.200 -91.000 TYR 181 0.840 -8.452 -32.140 -3.226 -99.200 -91.000 TYR 183 0.840 -0.540 -38.493 1.625 -99.200 -91.000 PHE 185 1.000 -6.922 -31.478 1.622 -99.200 -91.000 HIS 186 0.900 -1.498 -33.011 8.219 -99.200 -91.000 HIS 189 0.900 -14.940 -38.942 9.310 -99.200 -91.000 HIS 192 0.900 -21.114 -36.076 16.907 -99.200 -91.000 PHE 196 1.000 -23.360 -50.857 18.231 -99.200 -91.000 PHE 203 1.000 -13.375 -44.700 10.361 -99.200 -91.000 TYR 210 0.840 -6.925 -44.530 2.360 -99.200 -91.000 TYR 213 0.840 -3.640 -32.614 12.742 -99.200 -91.000 PHE 214 1.000 -8.235 -34.176 15.518 -99.200 -91.000 TRP 226 1.040 -14.541 -51.835 24.272 -99.200 -91.000 TRP6 226 1.020 -14.450 -54.009 23.291 -99.200 -91.000 PHE 244 1.000 -13.372 -37.350 27.864 -99.200 -91.000 TRP 250 1.040 -9.149 -35.260 32.645 -99.200 -91.000 TRP6 250 1.020 -11.031 -33.801 32.806 -99.200 -91.000 PHE 261 1.000 -3.637 -34.493 17.752 -99.200 -91.000 HIS 265 0.900 -17.568 -26.555 24.418 -99.200 -91.000 PHE 285 1.000 1.023 -38.874 32.444 -99.200 -91.000 TRP 291 1.040 -7.957 -25.913 24.709 -99.200 -91.000 TRP6 291 1.020 -8.038 -27.262 26.684 -99.200 -91.000 HIS 292 0.900 -16.862 -29.267 20.800 -99.200 -91.000 HIS 307 0.900 -6.114 -14.199 24.935 -99.200 -91.000 HIS 313 0.900 6.506 -26.817 23.984 -99.200 -91.000 PHE 331 1.000 -21.001 -12.277 21.537 -99.200 -91.000 PHE 341 1.000 -0.258 -20.751 10.775 -99.200 -91.000 PHE 342 1.000 -8.636 -18.208 14.940 -99.200 -91.000 TYR 343 0.840 -0.766 -14.497 12.620 -99.200 -91.000 TYR 362 0.840 -29.764 -9.599 17.048 -99.200 -91.000 TYR 366 0.840 -37.746 -23.902 25.358 -99.200 -91.000 HIS 369 0.900 -41.263 -30.399 20.289 -99.200 -91.000 TRP 371 1.040 -31.970 -29.021 21.499 -99.200 -91.000 TRP6 371 1.020 -30.170 -28.437 20.046 -99.200 -91.000 HIS 386 0.900 -27.392 -31.623 15.475 -99.200 -91.000 HIS 387 0.900 -35.869 -32.378 13.966 -99.200 -91.000