============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 6 1.000 15.916 44.721 40.456 -99.200 -91.000 PHE 7 1.000 21.254 45.953 33.204 -99.200 -91.000 PHE 10 1.000 20.788 52.164 41.007 -99.200 -91.000 TYR 11 0.840 23.277 56.146 33.125 -99.200 -91.000 HIS 40 0.900 37.755 62.512 35.133 -99.200 -91.000 TRP 42 1.040 30.440 62.492 29.762 -99.200 -91.000 TRP6 42 1.020 29.247 64.032 28.433 -99.200 -91.000 TRP 50 1.040 31.877 38.103 35.483 -99.200 -91.000 TRP6 50 1.020 29.695 38.868 35.055 -99.200 -91.000 PHE 66 1.000 28.027 55.322 21.150 -99.200 -91.000 PHE 77 1.000 13.689 65.328 27.647 -99.200 -91.000 HIS 79 0.900 22.883 71.267 30.188 -99.200 -91.000 TYR 89 0.840 22.075 75.302 33.664 -99.200 -91.000 PHE 93 1.000 17.011 67.699 35.486 -99.200 -91.000 HIS 96 0.900 16.263 52.669 40.596 -99.200 -91.000 TYR 102 0.840 9.331 38.896 39.271 -99.200 -91.000 TRP 108 1.040 8.504 46.060 38.752 -99.200 -91.000 TRP6 108 1.020 9.931 46.631 40.561 -99.200 -91.000 PHE 110 1.000 12.707 50.100 38.462 -99.200 -91.000 TYR 123 0.840 7.592 54.155 29.368 -99.200 -91.000 TRP 130 1.040 7.903 58.805 29.401 -99.200 -91.000 TRP6 130 1.020 9.794 58.530 30.797 -99.200 -91.000 PHE 155 1.000 15.859 52.618 21.404 -99.200 -91.000 HIS 158 0.900 14.220 45.961 20.594 -99.200 -91.000 PHE 160 1.000 12.756 49.249 30.358 -99.200 -91.000 PHE 164 1.000 17.919 47.596 29.307 -99.200 -91.000 TYR 167 0.840 24.002 43.440 29.214 -99.200 -91.000 HIS 172 0.900 21.561 33.357 36.064 -99.200 -91.000 PHE 190 1.000 30.873 44.118 71.103 -99.200 -91.000 PHE 208 1.000 26.344 39.680 56.223 -99.200 -91.000 TYR 209 0.840 27.870 38.442 47.434 -99.200 -91.000 TRP 217 1.040 20.054 40.291 69.949 -99.200 -91.000 TRP6 217 1.020 22.044 39.865 71.143 -99.200 -91.000 TYR 243 0.840 26.531 43.507 51.099 -99.200 -91.000 HIS 257 0.900 15.272 36.573 81.643 -99.200 -91.000 TYR 259 0.840 19.280 38.092 77.571 -99.200 -91.000 HIS 265 0.900 24.685 34.617 54.324 -99.200 -91.000 TRP 277 1.040 26.932 38.801 77.495 -99.200 -91.000 TRP6 277 1.020 25.446 39.454 79.206 -99.200 -91.000 HIS 278 0.900 29.784 31.871 77.090 -99.200 -91.000 HIS 279 0.900 27.128 37.340 82.019 -99.200 -91.000