============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. HIS 3 0.900 -6.916 -2.736 30.680 -99.200 -91.000 TYR 7 0.840 4.429 6.276 36.147 -99.200 -91.000 PHE 8 1.000 5.685 6.815 27.537 -99.200 -91.000 HIS 9 0.900 10.429 8.946 33.587 -99.200 -91.000 PHE 22 1.000 12.125 14.935 34.728 -99.200 -91.000 TYR 27 0.840 0.387 8.938 27.726 -99.200 -91.000 PHE 33 1.000 -1.450 7.719 35.549 -99.200 -91.000 PHE 36 1.000 8.085 17.865 38.097 -99.200 -91.000 TRP 51 1.040 -8.781 7.546 35.404 -99.200 -91.000 TRP6 51 1.020 -6.544 6.921 35.772 -99.200 -91.000 TYR 59 0.840 -0.670 9.106 43.493 -99.200 -91.000 TRP 60 1.040 -2.180 14.239 44.065 -99.200 -91.000 TRP6 60 1.020 -1.894 13.705 41.792 -99.200 -91.000 TYR 84 0.840 29.625 6.593 30.946 -99.200 -91.000 TYR 85 0.840 27.750 7.734 24.026 -99.200 -91.000 HIS 93 0.900 24.818 16.085 23.422 -99.200 -91.000 TYR 99 0.840 9.311 4.016 35.941 -99.200 -91.000 TYR 113 0.840 7.520 -3.161 28.309 -99.200 -91.000 HIS 114 0.900 14.843 1.601 34.099 -99.200 -91.000 TYR 118 0.840 23.706 11.099 25.125 -99.200 -91.000 TYR 123 0.840 23.677 4.607 27.899 -99.200 -91.000 TRP 133 1.040 21.011 -4.595 33.489 -99.200 -91.000 TRP6 133 1.020 19.340 -2.968 33.744 -99.200 -91.000 TRP 147 1.040 22.870 0.950 36.413 -99.200 -91.000 TRP6 147 1.020 21.050 1.525 35.030 -99.200 -91.000 TYR 159 0.840 7.580 0.318 40.016 -99.200 -91.000 TRP 167 1.040 0.498 1.587 43.713 -99.200 -91.000 TRP6 167 1.020 -0.757 3.336 44.693 -99.200 -91.000 TYR 171 0.840 -2.851 4.366 39.252 -99.200 -91.000 HIS 188 0.900 -17.829 10.765 7.240 -99.200 -91.000 HIS 191 0.900 -17.219 11.299 -5.462 -99.200 -91.000 HIS 192 0.900 -13.368 14.506 -0.157 -99.200 -91.000 HIS 197 0.900 -11.322 13.021 -17.484 -99.200 -91.000 TRP 204 1.040 -13.617 11.053 6.374 -99.200 -91.000 TRP6 204 1.020 -12.161 12.763 7.069 -99.200 -91.000 PHE 208 1.000 -9.833 5.556 16.006 -99.200 -91.000 TYR 209 0.840 -9.150 4.966 25.226 -99.200 -91.000 TRP 217 1.040 -10.474 3.087 0.912 -99.200 -91.000 TRP6 217 1.020 -12.757 3.178 0.342 -99.200 -91.000 PHE 241 1.000 -5.899 8.145 20.459 -99.200 -91.000 TRP 244 1.040 -7.809 11.330 6.419 -99.200 -91.000 TRP6 244 1.020 -6.491 11.132 4.463 -99.200 -91.000 TYR 257 0.840 -12.230 1.415 -5.802 -99.200 -91.000 HIS 260 0.900 -13.738 -4.467 3.693 -99.200 -91.000 HIS 263 0.900 -11.711 0.818 18.223 -99.200 -91.000 TRP 274 1.040 -19.853 8.579 -2.172 -99.200 -91.000 TRP6 274 1.020 -20.346 8.944 -4.445 -99.200 -91.000