============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. TRP 11 1.040 34.690 12.602 23.127 -99.200 -91.000 TRP6 11 1.020 36.675 13.387 22.080 -99.200 -91.000 PHE 16 1.000 34.304 15.493 17.601 -99.200 -91.000 TRP 19 1.040 26.301 22.911 14.241 -99.200 -91.000 TRP6 19 1.020 25.319 24.589 12.884 -99.200 -91.000 TRP 22 1.040 19.727 22.425 13.756 -99.200 -91.000 TRP6 22 1.020 18.444 22.346 15.747 -99.200 -91.000 PHE 37 1.000 20.187 32.569 -4.847 -99.200 -91.000 TRP 40 1.040 21.064 26.483 4.979 -99.200 -91.000 TRP6 40 1.020 19.523 26.127 3.219 -99.200 -91.000 TRP 41 1.040 30.603 29.624 4.770 -99.200 -91.000 TRP6 41 1.020 31.429 31.253 6.295 -99.200 -91.000 TRP 48 1.040 22.193 21.952 -0.106 -99.200 -91.000 TRP6 48 1.020 23.094 19.763 -0.145 -99.200 -91.000 PHE 61 1.000 29.573 19.218 2.768 -99.200 -91.000 TRP 62 1.040 38.196 19.976 2.838 -99.200 -91.000 TRP6 62 1.020 39.190 21.174 4.610 -99.200 -91.000 HIS 79 0.900 51.684 22.847 0.287 -99.200 -91.000 PHE 99 1.000 34.609 19.003 10.024 -99.200 -91.000 PHE 104 1.000 29.993 9.433 5.048 -99.200 -91.000 HIS 116 0.900 40.114 25.865 -5.897 -99.200 -91.000 HIS 118 0.900 44.885 25.026 -4.602 -99.200 -91.000 HIS 121 0.900 38.508 25.608 -2.261 -99.200 -91.000 HIS 137 0.900 19.575 11.898 -8.963 -99.200 -91.000 PHE 140 1.000 30.166 12.853 -7.520 -99.200 -91.000 TRP 150 1.040 34.902 14.390 -7.417 -99.200 -91.000 TRP6 150 1.020 34.188 16.318 -8.591 -99.200 -91.000 TRP 153 1.040 39.937 10.515 -4.330 -99.200 -91.000 TRP6 153 1.020 39.028 12.672 -3.979 -99.200 -91.000 PHE 182 1.000 39.621 35.920 -12.783 -99.200 -91.000 TYR 197 0.840 63.114 27.266 -10.774 -99.200 -91.000 TYR 212 0.840 31.639 25.773 -10.936 -99.200 -91.000 TYR 222 0.840 32.165 35.408 -10.212 -99.200 -91.000 HIS 223 0.900 32.232 28.762 -4.642 -99.200 -91.000 HIS 228 0.900 45.803 34.352 -5.357 -99.200 -91.000 TYR 229 0.840 40.864 42.831 -8.078 -99.200 -91.000 TYR 232 0.840 38.665 38.204 -18.364 -99.200 -91.000 TYR 233 0.840 37.331 38.558 -9.347 -99.200 -91.000 HIS 236 0.900 34.487 36.161 -15.196 -99.200 -91.000 TYR 240 0.840 28.119 35.980 -18.114 -99.200 -91.000 TYR 249 0.840 38.781 39.298 4.715 -99.200 -91.000 PHE 280 1.000 33.051 31.565 -0.560 -99.200 -91.000 HIS 281 0.900 39.275 29.527 1.414 -99.200 -91.000 HIS 282 0.900 34.872 35.150 6.470 -99.200 -91.000 TRP 285 1.040 43.046 26.919 5.978 -99.200 -91.000 TRP6 285 1.020 42.954 24.668 6.706 -99.200 -91.000 PHE 288 1.000 46.059 31.998 5.095 -99.200 -91.000 TRP 299 1.040 29.849 49.097 1.372 -99.200 -91.000 TRP6 299 1.020 28.043 49.513 2.854 -99.200 -91.000 TYR 308 0.840 32.846 50.745 -3.315 -99.200 -91.000 PHE 310 1.000 30.326 46.893 -3.456 -99.200 -91.000 PHE 313 1.000 24.611 37.822 5.076 -99.200 -91.000 PHE 314 1.000 30.636 42.176 6.873 -99.200 -91.000 TRP 315 1.040 25.845 33.145 5.734 -99.200 -91.000 TRP6 315 1.020 26.174 32.083 3.651 -99.200 -91.000 TYR 321 0.840 22.034 36.403 1.531 -99.200 -91.000 TYR 323 0.840 19.600 38.599 -4.168 -99.200 -91.000 HIS 331 0.900 27.432 43.151 10.897 -99.200 -91.000 TYR 332 0.840 22.887 33.720 9.662 -99.200 -91.000 HIS 334 0.900 24.833 30.575 13.779 -99.200 -91.000 PHE 335 1.000 14.888 30.313 16.282 -99.200 -91.000 PHE 338 1.000 15.815 29.921 25.086 -99.200 -91.000 PHE 342 1.000 8.991 34.989 30.745 -99.200 -91.000 TYR 350 0.840 13.258 36.551 44.237 -99.200 -91.000 PHE 353 1.000 16.580 33.017 40.768 -99.200 -91.000