============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 8 1.000 26.468 25.464 14.041 -99.200 -91.000 PHE 24 1.000 43.230 6.250 20.408 -99.200 -91.000 PHE 37 1.000 28.957 13.381 16.375 -99.200 -91.000 TYR 50 0.840 43.685 11.812 32.536 -99.200 -91.000 TYR 52 0.840 51.715 18.341 34.659 -99.200 -91.000 PHE 57 1.000 54.331 20.472 31.445 -99.200 -91.000 PHE 59 1.000 52.253 18.076 26.509 -99.200 -91.000 TRP 68 1.040 41.343 8.057 15.307 -99.200 -91.000 TRP6 68 1.020 39.221 9.096 15.430 -99.200 -91.000 HIS 77 0.900 36.320 23.190 23.242 -99.200 -91.000 HIS 79 0.900 36.394 19.206 29.293 -99.200 -91.000 TRP 83 1.040 36.834 21.253 35.816 -99.200 -91.000 TRP6 83 1.020 36.517 18.991 35.263 -99.200 -91.000 HIS 84 0.900 35.981 22.347 40.356 -99.200 -91.000 TYR 87 0.840 38.091 14.174 37.926 -99.200 -91.000 TRP 92 1.040 51.224 22.030 38.577 -99.200 -91.000 TRP6 92 1.020 49.620 23.769 38.627 -99.200 -91.000 PHE 100 1.000 48.235 27.109 42.563 -99.200 -91.000 PHE 104 1.000 47.052 29.525 36.783 -99.200 -91.000 HIS 107 0.900 48.547 22.504 33.116 -99.200 -91.000 HIS 114 0.900 52.656 18.942 22.904 -99.200 -91.000 PHE 115 1.000 47.870 19.065 23.205 -99.200 -91.000 TRP 122 1.040 43.485 25.023 24.222 -99.200 -91.000 TRP6 122 1.020 43.936 23.000 25.372 -99.200 -91.000 PHE 130 1.000 28.456 28.024 46.074 -99.200 -91.000 TYR 145 0.840 34.122 35.108 40.410 -99.200 -91.000 PHE 150 1.000 43.505 25.684 39.383 -99.200 -91.000 TYR 151 0.840 38.052 33.124 44.757 -99.200 -91.000 PHE 154 1.000 46.723 33.108 40.117 -99.200 -91.000 TYR 159 0.840 40.819 30.970 38.941 -99.200 -91.000 PHE 164 1.000 39.537 32.902 29.286 -99.200 -91.000 TYR 177 0.840 34.617 28.872 22.698 -99.200 -91.000 TYR 178 0.840 33.728 30.525 32.809 -99.200 -91.000 PHE 181 1.000 28.066 22.399 36.889 -99.200 -91.000 PHE 212 1.000 25.318 29.424 27.906 -99.200 -91.000 HIS 215 0.900 26.654 17.835 30.934 -99.200 -91.000 TYR 220 0.840 14.923 23.094 35.903 -99.200 -91.000 TYR 255 0.840 18.095 16.244 40.457 -99.200 -91.000 TYR 263 0.840 10.128 6.676 30.988 -99.200 -91.000 TYR 283 0.840 19.824 15.450 22.218 -99.200 -91.000 TYR 290 0.840 24.661 27.378 19.088 -99.200 -91.000 TRP 305 1.040 30.536 14.861 28.270 -99.200 -91.000 TRP6 305 1.020 32.263 16.212 27.411 -99.200 -91.000 TRP 313 1.040 27.919 12.975 32.116 -99.200 -91.000 TRP6 313 1.020 27.746 14.272 34.081 -99.200 -91.000 TYR 315 0.840 23.629 2.725 30.036 -99.200 -91.000 HIS 317 0.900 20.139 10.644 35.947 -99.200 -91.000 TRP 323 1.040 17.525 4.224 28.097 -99.200 -91.000 TRP6 323 1.020 16.080 4.468 29.940 -99.200 -91.000 PHE 327 1.000 24.566 7.697 16.454 -99.200 -91.000 TYR 337 0.840 21.416 11.226 13.289 -99.200 -91.000