============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. HIS 25 0.900 51.943 9.015 48.280 -99.200 -91.000 TYR 29 0.840 49.762 18.789 40.214 -99.200 -91.000 TYR 37 0.840 46.048 21.858 36.922 -99.200 -91.000 TYR 42 0.840 44.849 34.143 35.132 -99.200 -91.000 PHE 63 1.000 26.839 45.633 40.891 -99.200 -91.000 PHE 76 1.000 29.043 39.892 32.249 -99.200 -91.000 PHE 86 1.000 47.191 35.279 26.873 -99.200 -91.000 TRP 99 1.040 36.543 39.350 46.782 -99.200 -91.000 TRP6 99 1.020 34.828 37.749 47.111 -99.200 -91.000 PHE 108 1.000 31.666 34.665 49.392 -99.200 -91.000 TYR 114 0.840 24.770 32.527 44.655 -99.200 -91.000 TYR 122 0.840 43.327 29.522 47.309 -99.200 -91.000 TYR 123 0.840 41.477 29.713 42.538 -99.200 -91.000 TYR 135 0.840 48.832 32.756 39.119 -99.200 -91.000 HIS 156 0.900 48.931 3.391 36.476 -99.200 -91.000 PHE 157 1.000 49.379 6.827 44.620 -99.200 -91.000 PHE 159 1.000 52.592 6.026 51.151 -99.200 -91.000 HIS 163 0.900 54.812 -0.713 41.528 -99.200 -91.000 PHE 164 1.000 48.739 2.723 47.143 -99.200 -91.000 PHE 167 1.000 41.431 2.439 37.832 -99.200 -91.000 TRP 179 1.040 29.952 6.423 39.858 -99.200 -91.000 TRP6 179 1.020 29.375 6.646 42.138 -99.200 -91.000 HIS 181 0.900 31.509 1.265 31.868 -99.200 -91.000 PHE 183 1.000 30.715 -0.751 40.946 -99.200 -91.000 PHE 191 1.000 30.186 7.536 49.071 -99.200 -91.000 TYR 198 0.840 25.358 21.953 57.365 -99.200 -91.000 HIS 212 0.900 18.225 14.670 53.355 -99.200 -91.000 PHE 218 1.000 29.081 4.903 53.342 -99.200 -91.000 TRP 226 1.040 31.774 -6.122 42.612 -99.200 -91.000 TRP6 226 1.020 32.274 -8.086 41.388 -99.200 -91.000 PHE 227 1.000 32.138 -2.328 45.181 -99.200 -91.000 PHE 235 1.000 39.811 9.872 52.655 -99.200 -91.000 PHE 242 1.000 30.267 20.105 59.641 -99.200 -91.000 TYR 255 0.840 21.817 14.550 58.761 -99.200 -91.000 TYR 258 0.840 23.198 18.629 65.544 -99.200 -91.000 TYR 264 0.840 35.087 19.814 62.965 -99.200 -91.000 TYR 270 0.840 22.745 13.967 64.136 -99.200 -91.000 PHE 275 1.000 27.096 10.244 54.866 -99.200 -91.000 TYR 288 0.840 38.788 -0.178 57.903 -99.200 -91.000 HIS 290 0.900 41.167 7.812 58.436 -99.200 -91.000 PHE 291 1.000 34.848 13.337 61.043 -99.200 -91.000 PHE 302 1.000 51.344 13.641 59.232 -99.200 -91.000 PHE 304 1.000 46.893 7.221 50.078 -99.200 -91.000