============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 69 rings ring int. center anis. iso. PHE 1 1.000 -11.697 9.116 -21.526 -99.200 -91.000 PHE 7 1.000 -12.609 3.931 -35.833 -99.200 -91.000 HIS 21 0.900 4.476 8.515 -39.847 -99.200 -91.000 PHE 31 1.000 -1.238 4.416 -33.916 -99.200 -91.000 TRP 32 1.040 -6.242 2.080 -26.913 -99.200 -91.000 TRP6 32 1.020 -8.142 1.135 -25.868 -99.200 -91.000 HIS 43 0.900 1.707 -9.670 -44.980 -99.200 -91.000 PHE 48 1.000 -6.665 3.615 -35.585 -99.200 -91.000 PHE 61 1.000 -5.961 8.550 -44.142 -99.200 -91.000 TYR 69 0.840 -13.360 1.254 -40.891 -99.200 -91.000 PHE 84 1.000 -14.217 1.538 -11.637 -99.200 -91.000 HIS 93 0.900 -6.721 -5.927 -1.926 -99.200 -91.000 TYR 95 0.840 -6.218 -10.604 -2.714 -99.200 -91.000 TYR 98 0.840 -9.652 -3.663 -12.946 -99.200 -91.000 TRP 101 1.040 0.346 3.987 -4.383 -99.200 -91.000 TRP6 101 1.020 1.353 1.871 -4.715 -99.200 -91.000 TRP 107 1.040 -2.968 -6.799 -0.717 -99.200 -91.000 TRP6 107 1.020 -1.133 -7.134 -2.163 -99.200 -91.000 PHE 128 1.000 9.145 14.249 -11.524 -99.200 -91.000 TYR 134 0.840 5.803 0.573 0.051 -99.200 -91.000 PHE 149 1.000 11.904 -7.876 -10.088 -99.200 -91.000 PHE 154 1.000 8.347 -2.092 -16.531 -99.200 -91.000 HIS 155 0.900 3.852 0.142 -20.775 -99.200 -91.000 TRP 159 1.040 -6.196 0.849 -14.348 -99.200 -91.000 TRP6 159 1.020 -8.223 1.723 -13.486 -99.200 -91.000 HIS 162 0.900 -1.373 -1.505 -12.670 -99.200 -91.000 PHE 164 1.000 -0.808 -12.990 -12.433 -99.200 -91.000 TRP 167 1.040 -5.626 -14.624 -8.449 -99.200 -91.000 TRP6 167 1.020 -7.932 -14.240 -8.089 -99.200 -91.000 PHE 168 1.000 3.101 -15.364 -7.693 -99.200 -91.000 TYR 176 0.840 4.534 -23.056 2.712 -99.200 -91.000 TYR 178 0.840 -3.535 -25.268 3.925 -99.200 -91.000 HIS 181 0.900 3.401 -29.266 -8.766 -99.200 -91.000 PHE 185 1.000 6.178 -23.964 -7.953 -99.200 -91.000 PHE 191 1.000 7.231 -17.544 -6.788 -99.200 -91.000 TYR 192 0.840 13.789 -10.773 -4.285 -99.200 -91.000 TYR 202 0.840 -3.193 1.719 -10.502 -99.200 -91.000 TYR 204 0.840 -2.524 12.405 -15.307 -99.200 -91.000 TRP 206 1.040 -7.170 4.047 -10.034 -99.200 -91.000 TRP6 206 1.020 -9.139 3.191 -9.028 -99.200 -91.000 TRP 212 1.040 0.124 9.160 -17.904 -99.200 -91.000 TRP6 212 1.020 0.461 11.030 -19.307 -99.200 -91.000 PHE 233 1.000 14.145 -1.033 -17.351 -99.200 -91.000 TRP 237 1.040 17.542 4.650 -23.890 -99.200 -91.000 TRP6 237 1.020 18.519 6.750 -24.408 -99.200 -91.000 TYR 251 0.840 11.407 11.474 -24.016 -99.200 -91.000 PHE 268 1.000 15.414 -6.255 -5.588 -99.200 -91.000 TYR 278 0.840 12.083 -8.525 -15.842 -99.200 -91.000 HIS 282 0.900 4.304 -4.802 -19.876 -99.200 -91.000 TYR 284 0.840 -5.637 -4.585 -26.189 -99.200 -91.000 TYR 290 0.840 10.940 -16.429 -27.228 -99.200 -91.000 TYR 292 0.840 18.462 -10.421 -27.567 -99.200 -91.000 TYR 294 0.840 18.744 -5.390 -27.936 -99.200 -91.000 TYR 296 0.840 14.023 -7.120 -37.797 -99.200 -91.000 TYR 320 0.840 -11.748 -20.163 -16.416 -99.200 -91.000 TYR 324 0.840 -2.355 -15.515 -22.822 -99.200 -91.000 TYR 326 0.840 4.275 -20.297 -28.827 -99.200 -91.000 TYR 334 0.840 10.755 -1.534 -37.676 -99.200 -91.000 TRP 343 1.040 19.340 -3.840 -18.275 -99.200 -91.000 TRP6 343 1.020 18.842 -4.484 -16.059 -99.200 -91.000 TYR 345 0.840 18.567 -13.833 -23.066 -99.200 -91.000 TYR 351 0.840 15.314 -20.449 -17.865 -99.200 -91.000 PHE 353 1.000 9.689 -16.903 -21.013 -99.200 -91.000 PHE 355 1.000 3.911 -14.794 -18.681 -99.200 -91.000 TYR 363 0.840 -15.660 -5.738 -22.895 -99.200 -91.000 PHE 365 1.000 -4.298 -0.677 -23.431 -99.200 -91.000 TYR 385 0.840 4.978 -25.943 -18.076 -99.200 -91.000 TYR 389 0.840 12.224 -25.182 -18.472 -99.200 -91.000 HIS 393 0.900 14.774 -27.386 -17.117 -99.200 -91.000