============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. HIS 8 0.900 -15.974 -2.618 4.042 -99.200 -91.000 HIS 12 0.900 -20.478 2.893 -6.579 -99.200 -91.000 PHE 15 1.000 -15.038 14.278 -2.872 -99.200 -91.000 PHE 17 1.000 -13.160 16.979 3.121 -99.200 -91.000 TYR 20 0.840 -7.136 15.845 11.220 -99.200 -91.000 TRP 33 1.040 -14.445 20.724 6.252 -99.200 -91.000 TRP6 33 1.020 -14.719 18.670 7.400 -99.200 -91.000 TRP 46 1.040 -12.927 4.366 2.133 -99.200 -91.000 TRP6 46 1.020 -13.363 3.413 4.255 -99.200 -91.000 HIS 53 0.900 -12.667 9.654 7.374 -99.200 -91.000 TRP 54 1.040 -17.924 3.838 5.645 -99.200 -91.000 TRP6 54 1.020 -18.364 3.417 3.347 -99.200 -91.000 TYR 66 0.840 -23.169 13.185 15.112 -99.200 -91.000 TYR 69 0.840 -28.308 5.284 22.086 -99.200 -91.000 HIS 71 0.900 -27.625 -0.161 13.744 -99.200 -91.000 PHE 72 1.000 -24.341 4.991 12.082 -99.200 -91.000 PHE 78 1.000 -11.614 13.968 18.684 -99.200 -91.000 TYR 87 0.840 -12.615 12.070 22.687 -99.200 -91.000 PHE 89 1.000 -10.509 14.528 26.426 -99.200 -91.000 PHE 102 1.000 -19.808 9.277 34.087 -99.200 -91.000 PHE 141 1.000 -11.724 38.963 16.950 -99.200 -91.000 TYR 145 0.840 -13.053 39.817 22.214 -99.200 -91.000 PHE 149 1.000 -15.410 37.259 25.823 -99.200 -91.000 PHE 154 1.000 -12.216 25.683 31.043 -99.200 -91.000 HIS 167 0.900 2.019 22.439 28.873 -99.200 -91.000 TYR 170 0.840 2.063 22.577 20.975 -99.200 -91.000 PHE 184 1.000 -6.889 12.494 21.339 -99.200 -91.000 TYR 192 0.840 -6.507 12.351 30.562 -99.200 -91.000 TYR 194 0.840 -2.471 22.168 33.980 -99.200 -91.000 PHE 247 1.000 -19.516 31.099 15.747 -99.200 -91.000 PHE 250 1.000 -14.034 29.663 11.090 -99.200 -91.000 PHE 254 1.000 -21.092 37.737 7.362 -99.200 -91.000 HIS 261 0.900 -24.819 40.364 6.327 -99.200 -91.000 PHE 283 1.000 -19.190 32.637 8.617 -99.200 -91.000 TYR 296 0.840 -27.373 0.416 10.126 -99.200 -91.000 PHE 298 1.000 -26.888 5.759 7.808 -99.200 -91.000 HIS 299 0.900 -29.831 7.224 4.292 -99.200 -91.000 HIS 328 0.900 -27.925 35.958 1.864 -99.200 -91.000 PHE 331 1.000 -26.792 38.918 10.831 -99.200 -91.000 HIS 338 0.900 -27.496 25.325 14.689 -99.200 -91.000 PHE 341 1.000 -23.720 25.632 20.181 -99.200 -91.000 HIS 343 0.900 -29.800 15.607 15.682 -99.200 -91.000 HIS 346 0.900 -22.287 11.533 23.407 -99.200 -91.000 HIS 352 0.900 -27.768 26.450 27.470 -99.200 -91.000 TRP 365 1.040 -15.429 44.641 17.165 -99.200 -91.000 TRP6 365 1.020 -13.248 44.067 17.884 -99.200 -91.000 PHE 372 1.000 -15.230 45.152 12.512 -99.200 -91.000 HIS 382 0.900 -11.414 30.465 6.994 -99.200 -91.000 TRP 397 1.040 -10.330 50.301 15.075 -99.200 -91.000 TRP6 397 1.020 -9.589 48.110 15.578 -99.200 -91.000