============================================================================= 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 -15.990 -2.559 4.089 -99.200 -91.000 HIS 12 0.900 -20.500 2.928 -6.483 -99.200 -91.000 PHE 15 1.000 -15.024 14.294 -2.820 -99.200 -91.000 PHE 17 1.000 -13.155 17.006 3.171 -99.200 -91.000 TYR 20 0.840 -7.145 15.921 11.251 -99.200 -91.000 TRP 33 1.040 -14.448 20.769 6.318 -99.200 -91.000 TRP6 33 1.020 -14.725 18.728 7.491 -99.200 -91.000 TRP 46 1.040 -12.925 4.420 2.204 -99.200 -91.000 TRP6 46 1.020 -13.350 3.473 4.328 -99.200 -91.000 HIS 53 0.900 -12.688 9.720 7.435 -99.200 -91.000 TRP 54 1.040 -17.906 3.881 5.686 -99.200 -91.000 TRP6 54 1.020 -18.375 3.453 3.395 -99.200 -91.000 TYR 66 0.840 -23.202 13.250 15.145 -99.200 -91.000 TYR 69 0.840 -28.434 5.330 22.115 -99.200 -91.000 HIS 71 0.900 -27.623 -0.131 13.816 -99.200 -91.000 PHE 72 1.000 -24.358 5.032 12.137 -99.200 -91.000 PHE 78 1.000 -11.783 14.047 18.683 -99.200 -91.000 TYR 87 0.840 -12.720 12.234 22.707 -99.200 -91.000 PHE 89 1.000 -10.570 14.582 26.415 -99.200 -91.000 PHE 102 1.000 -19.878 9.196 34.123 -99.200 -91.000 PHE 141 1.000 -11.687 39.051 16.920 -99.200 -91.000 TYR 145 0.840 -13.005 39.889 22.165 -99.200 -91.000 PHE 149 1.000 -15.372 37.360 25.794 -99.200 -91.000 PHE 154 1.000 -12.149 25.765 30.963 -99.200 -91.000 HIS 167 0.900 2.030 22.458 28.835 -99.200 -91.000 TYR 170 0.840 2.062 22.567 20.970 -99.200 -91.000 PHE 184 1.000 -6.932 12.675 21.298 -99.200 -91.000 TYR 192 0.840 -6.431 12.456 30.659 -99.200 -91.000 TYR 194 0.840 -2.466 22.170 33.968 -99.200 -91.000 PHE 247 1.000 -19.460 31.144 15.746 -99.200 -91.000 PHE 250 1.000 -14.063 29.747 11.094 -99.200 -91.000 PHE 254 1.000 -21.113 37.772 7.437 -99.200 -91.000 HIS 261 0.900 -24.800 40.455 6.342 -99.200 -91.000 PHE 283 1.000 -19.186 32.664 8.642 -99.200 -91.000 TYR 296 0.840 -27.416 0.497 10.188 -99.200 -91.000 PHE 298 1.000 -26.907 5.777 7.875 -99.200 -91.000 HIS 299 0.900 -29.900 7.218 4.379 -99.200 -91.000 HIS 328 0.900 -27.923 35.987 1.856 -99.200 -91.000 PHE 331 1.000 -26.750 38.954 10.810 -99.200 -91.000 HIS 338 0.900 -27.493 25.388 14.709 -99.200 -91.000 PHE 341 1.000 -23.665 25.653 20.209 -99.200 -91.000 HIS 343 0.900 -29.862 15.669 15.710 -99.200 -91.000 HIS 346 0.900 -22.463 11.638 23.496 -99.200 -91.000 HIS 352 0.900 -27.762 26.621 27.540 -99.200 -91.000 TRP 365 1.040 -15.398 44.707 17.110 -99.200 -91.000 TRP6 365 1.020 -13.209 44.137 17.826 -99.200 -91.000 PHE 372 1.000 -15.213 45.211 12.479 -99.200 -91.000 HIS 382 0.900 -11.416 30.524 6.972 -99.200 -91.000 TRP 397 1.040 -10.300 50.381 15.039 -99.200 -91.000 TRP6 397 1.020 -9.548 48.193 15.531 -99.200 -91.000