============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. TYR 17 0.840 12.017 22.005 12.879 -99.200 -91.000 PHE 34 1.000 17.504 30.528 10.071 -99.200 -91.000 TRP 42 1.040 12.460 39.217 17.817 -99.200 -91.000 TRP6 42 1.020 12.837 38.548 20.024 -99.200 -91.000 PHE 44 1.000 15.563 36.614 25.049 -99.200 -91.000 TYR 59 0.840 24.344 42.156 18.419 -99.200 -91.000 TRP 75 1.040 13.179 46.390 17.460 -99.200 -91.000 TRP6 75 1.020 12.426 44.225 18.006 -99.200 -91.000 TYR 79 0.840 6.656 37.295 16.577 -99.200 -91.000 TYR 89 0.840 23.044 48.413 18.741 -99.200 -91.000 PHE 115 1.000 9.185 35.874 21.925 -99.200 -91.000 PHE 129 1.000 7.385 37.943 -0.059 -99.200 -91.000 PHE 143 1.000 21.214 36.032 5.943 -99.200 -91.000 PHE 144 1.000 15.664 35.013 -0.171 -99.200 -91.000 PHE 156 1.000 13.992 31.229 2.297 -99.200 -91.000 TYR 162 0.840 8.302 12.287 12.674 -99.200 -91.000 HIS 163 0.900 9.503 13.846 16.685 -99.200 -91.000 TYR 168 0.840 15.507 26.836 7.829 -99.200 -91.000 PHE 170 1.000 19.347 31.503 3.868 -99.200 -91.000 PHE 172 1.000 22.941 24.726 -1.842 -99.200 -91.000 TYR 178 0.840 14.519 17.890 -5.245 -99.200 -91.000 TYR 184 0.840 9.969 25.638 -8.390 -99.200 -91.000 PHE 193 1.000 1.561 36.780 6.838 -99.200 -91.000 TRP 194 1.040 7.901 33.592 1.706 -99.200 -91.000 TRP6 194 1.020 8.781 33.212 -0.422 -99.200 -91.000 TRP 196 1.040 0.939 27.734 -0.178 -99.200 -91.000 TRP6 196 1.020 0.106 25.662 -0.870 -99.200 -91.000 TYR 201 0.840 -9.758 17.846 1.822 -99.200 -91.000 PHE 208 1.000 -6.545 16.660 -4.459 -99.200 -91.000 TYR 225 0.840 -2.867 25.896 13.977 -99.200 -91.000 TYR 234 0.840 -6.229 13.360 9.999 -99.200 -91.000 TRP 235 1.040 -8.422 15.843 13.535 -99.200 -91.000 TRP6 235 1.020 -6.728 14.477 14.393 -99.200 -91.000 TYR 250 0.840 -11.064 18.179 15.668 -99.200 -91.000 PHE 252 1.000 -3.822 11.361 17.984 -99.200 -91.000 PHE 261 1.000 -4.593 17.050 4.987 -99.200 -91.000 PHE 263 1.000 0.744 19.922 1.479 -99.200 -91.000 TYR 276 0.840 6.305 13.276 9.089 -99.200 -91.000 PHE 279 1.000 3.238 19.008 17.728 -99.200 -91.000 PHE 288 1.000 -3.228 20.037 20.328 -99.200 -91.000 PHE 302 1.000 -1.046 24.680 3.432 -99.200 -91.000 PHE 311 1.000 14.786 20.750 -1.126 -99.200 -91.000 PHE 314 1.000 9.952 29.230 2.007 -99.200 -91.000 PHE 324 1.000 4.771 23.416 -0.608 -99.200 -91.000