============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 4 1.000 9.065 -29.229 -8.157 -99.200 -91.000 HIS 8 0.900 10.486 -35.829 -0.212 -99.200 -91.000 TYR 11 0.840 8.601 -20.954 5.747 -99.200 -91.000 PHE 20 1.000 -6.299 -12.312 -4.229 -99.200 -91.000 TYR 28 0.840 10.964 -31.814 -4.539 -99.200 -91.000 HIS 46 0.900 -11.122 -16.757 -0.398 -99.200 -91.000 PHE 55 1.000 -2.641 -21.075 -7.093 -99.200 -91.000 HIS 66 0.900 6.440 -23.017 -23.597 -99.200 -91.000 PHE 69 1.000 13.688 -11.256 -22.826 -99.200 -91.000 TYR 73 0.840 4.606 -24.963 -14.342 -99.200 -91.000 TYR 78 0.840 -1.630 -31.864 -8.389 -99.200 -91.000 TYR 91 0.840 15.265 -17.495 -4.412 -99.200 -91.000 PHE 100 1.000 19.615 -5.041 -9.866 -99.200 -91.000 HIS 104 0.900 23.317 -2.962 -7.593 -99.200 -91.000 TYR 116 0.840 17.673 -3.701 -16.107 -99.200 -91.000 TYR 126 0.840 5.627 -16.071 -25.294 -99.200 -91.000 HIS 134 0.900 1.359 -8.971 -15.343 -99.200 -91.000 HIS 149 0.900 17.357 -12.875 -18.816 -99.200 -91.000 PHE 155 1.000 2.883 -13.871 -16.032 -99.200 -91.000 PHE 177 1.000 -2.486 7.848 -8.055 -99.200 -91.000 TRP 178 1.040 2.173 1.361 -11.249 -99.200 -91.000 TRP6 178 1.020 2.551 2.820 -9.416 -99.200 -91.000 TYR 179 0.840 -3.962 -0.644 -12.012 -99.200 -91.000 PHE 189 1.000 -8.016 -4.092 -15.975 -99.200 -91.000 TRP 196 1.040 -2.037 4.107 -18.665 -99.200 -91.000 TRP6 196 1.020 -3.045 6.001 -19.663 -99.200 -91.000 PHE 198 1.000 7.008 -1.105 -21.835 -99.200 -91.000 TYR 203 0.840 7.274 8.821 -13.555 -99.200 -91.000 PHE 206 1.000 14.514 5.344 -18.581 -99.200 -91.000 TYR 208 0.840 17.860 5.270 -11.494 -99.200 -91.000 PHE 219 1.000 -1.184 10.958 -12.729 -99.200 -91.000 HIS 256 0.900 7.774 12.822 -20.350 -99.200 -91.000 TRP 263 1.040 1.383 6.798 -19.886 -99.200 -91.000 TRP6 263 1.020 3.079 8.247 -19.090 -99.200 -91.000 PHE 273 1.000 3.366 -4.262 -24.415 -99.200 -91.000 TRP 284 1.040 20.941 -1.273 -24.977 -99.200 -91.000 TRP6 284 1.020 21.877 -2.919 -26.400 -99.200 -91.000