============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. TYR 4 0.840 48.568 9.163 52.148 -99.200 -91.000 PHE 7 1.000 46.269 6.641 48.579 -99.200 -91.000 PHE 23 1.000 42.772 4.810 43.978 -99.200 -91.000 PHE 31 1.000 39.761 -1.932 41.280 -99.200 -91.000 TRP 38 1.040 33.770 -11.477 41.179 -99.200 -91.000 TRP6 38 1.020 35.839 -11.085 42.220 -99.200 -91.000 TYR 45 0.840 21.044 -10.007 38.759 -99.200 -91.000 PHE 48 1.000 28.678 -12.324 48.090 -99.200 -91.000 PHE 51 1.000 29.727 -3.866 51.572 -99.200 -91.000 HIS 106 0.900 29.637 -0.340 47.827 -99.200 -91.000 PHE 113 1.000 15.925 0.364 44.521 -99.200 -91.000 TYR 120 0.840 26.334 -0.980 42.832 -99.200 -91.000 TYR 121 0.840 25.702 1.138 38.413 -99.200 -91.000 PHE 124 1.000 20.501 9.759 36.239 -99.200 -91.000 TYR 129 0.840 11.949 25.812 35.738 -99.200 -91.000 HIS 134 0.900 17.783 28.737 30.054 -99.200 -91.000 HIS 140 0.900 21.026 19.351 45.210 -99.200 -91.000 TYR 145 0.840 12.907 12.334 48.378 -99.200 -91.000 TYR 152 0.840 28.614 7.042 50.145 -99.200 -91.000 HIS 172 0.900 33.284 22.766 54.932 -99.200 -91.000 TRP 176 1.040 25.940 30.403 53.360 -99.200 -91.000 TRP6 176 1.020 24.158 29.519 54.611 -99.200 -91.000 HIS 178 0.900 25.110 35.886 53.643 -99.200 -91.000 HIS 181 0.900 20.563 36.587 58.985 -99.200 -91.000 TYR 182 0.840 19.580 33.080 56.093 -99.200 -91.000 PHE 183 1.000 23.255 26.167 63.989 -99.200 -91.000 HIS 185 0.900 14.649 33.105 61.833 -99.200 -91.000 PHE 194 1.000 13.013 19.043 54.116 -99.200 -91.000 PHE 201 1.000 5.850 16.736 58.941 -99.200 -91.000 HIS 202 0.900 14.690 16.919 57.160 -99.200 -91.000 PHE 205 1.000 20.894 25.948 58.761 -99.200 -91.000 TYR 217 0.840 17.592 24.676 50.972 -99.200 -91.000 PHE 221 1.000 12.736 16.575 45.891 -99.200 -91.000 PHE 227 1.000 3.878 36.258 53.849 -99.200 -91.000 TRP 232 1.040 14.501 31.911 57.948 -99.200 -91.000 TRP6 232 1.020 15.154 29.643 58.023 -99.200 -91.000 PHE 256 1.000 35.229 8.148 42.477 -99.200 -91.000 PHE 263 1.000 31.567 18.242 56.731 -99.200 -91.000 TRP 264 1.040 32.046 19.367 51.558 -99.200 -91.000 TRP6 264 1.020 33.182 21.024 50.343 -99.200 -91.000 HIS 266 0.900 24.855 17.402 45.833 -99.200 -91.000 PHE 271 1.000 24.184 21.478 30.005 -99.200 -91.000 HIS 274 0.900 27.859 21.402 19.475 -99.200 -91.000 TYR 287 0.840 24.503 2.400 55.259 -99.200 -91.000 PHE 288 1.000 30.597 9.096 55.541 -99.200 -91.000 TYR 290 0.840 32.854 5.573 60.721 -99.200 -91.000 HIS 293 0.900 38.978 0.664 71.983 -99.200 -91.000 HIS 294 0.900 31.949 1.830 68.498 -99.200 -91.000 TYR 295 0.840 33.186 2.404 76.944 -99.200 -91.000 HIS 298 0.900 23.755 -6.934 77.805 -99.200 -91.000