============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. TRP 7 1.040 22.393 26.988 16.813 -99.200 -91.000 TRP6 7 1.020 24.677 27.246 17.354 -99.200 -91.000 PHE 20 1.000 20.273 17.933 15.866 -99.200 -91.000 HIS 32 0.900 23.455 28.028 10.785 -99.200 -91.000 PHE 34 1.000 23.976 31.156 14.105 -99.200 -91.000 TRP 37 1.040 32.468 39.497 9.855 -99.200 -91.000 TRP6 37 1.020 33.159 40.708 7.968 -99.200 -91.000 PHE 41 1.000 39.159 27.716 8.432 -99.200 -91.000 TRP 43 1.040 37.298 29.676 18.407 -99.200 -91.000 TRP6 43 1.020 35.099 29.223 17.698 -99.200 -91.000 TYR 47 0.840 34.316 24.345 17.321 -99.200 -91.000 TYR 52 0.840 33.912 20.411 5.503 -99.200 -91.000 TRP 62 1.040 32.712 35.857 8.958 -99.200 -91.000 TRP6 62 1.020 33.782 36.435 6.934 -99.200 -91.000 TRP 65 1.040 27.544 40.161 16.471 -99.200 -91.000 TRP6 65 1.020 25.408 40.990 16.996 -99.200 -91.000 TYR 67 0.840 35.821 44.848 11.189 -99.200 -91.000 TYR 80 0.840 37.787 38.746 10.546 -99.200 -91.000 TYR 91 0.840 39.251 22.947 6.436 -99.200 -91.000 TRP 96 1.040 27.160 25.210 1.111 -99.200 -91.000 TRP6 96 1.020 24.990 24.312 1.219 -99.200 -91.000 HIS 101 0.900 22.351 36.266 10.450 -99.200 -91.000 TRP 107 1.040 17.240 40.737 14.046 -99.200 -91.000 TRP6 107 1.020 15.054 40.775 13.162 -99.200 -91.000 TYR 108 0.840 21.423 39.774 13.520 -99.200 -91.000 TRP 110 1.040 24.402 42.288 9.669 -99.200 -91.000 TRP6 110 1.020 25.154 41.363 11.700 -99.200 -91.000 TYR 114 0.840 21.877 49.085 14.531 -99.200 -91.000 TYR 124 0.840 23.527 43.357 2.883 -99.200 -91.000 PHE 128 1.000 26.656 38.877 -0.011 -99.200 -91.000 HIS 130 0.900 36.192 45.499 -0.502 -99.200 -91.000 PHE 135 1.000 36.172 34.783 1.855 -99.200 -91.000 TRP 145 1.040 30.761 33.937 -1.786 -99.200 -91.000 TRP6 145 1.020 31.571 34.741 0.249 -99.200 -91.000 PHE 147 1.000 19.843 38.252 -0.486 -99.200 -91.000 TYR 160 0.840 10.326 39.332 1.759 -99.200 -91.000 HIS 163 0.900 18.583 42.569 1.719 -99.200 -91.000 TYR 164 0.840 20.197 38.664 -5.383 -99.200 -91.000 TYR 169 0.840 29.439 40.532 -7.016 -99.200 -91.000 TYR 172 0.840 23.782 26.788 -2.357 -99.200 -91.000 TYR 178 0.840 13.658 30.966 14.344 -99.200 -91.000 TRP 180 1.040 8.691 34.282 16.583 -99.200 -91.000 TRP6 180 1.020 10.502 34.629 18.010 -99.200 -91.000 TRP 186 1.040 7.456 39.830 20.033 -99.200 -91.000 TRP6 186 1.020 6.675 38.660 18.126 -99.200 -91.000 TRP 190 1.040 0.551 27.000 15.657 -99.200 -91.000 TRP6 190 1.020 2.027 25.978 17.165 -99.200 -91.000 PHE 193 1.000 8.269 25.823 5.890 -99.200 -91.000 PHE 197 1.000 10.305 29.579 6.752 -99.200 -91.000 TYR 201 0.840 9.587 28.992 -2.552 -99.200 -91.000 PHE 216 1.000 12.804 24.089 9.297 -99.200 -91.000 TRP 228 1.040 4.726 24.834 12.596 -99.200 -91.000 TRP6 228 1.020 6.994 24.906 11.946 -99.200 -91.000 TYR 233 0.840 11.803 18.654 7.739 -99.200 -91.000 TYR 240 0.840 7.28