============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 2 1.000 -10.708 28.624 13.428 -99.200 -91.000 PHE 34 1.000 3.501 16.386 27.395 -99.200 -91.000 TYR 43 0.840 -7.030 21.089 23.897 -99.200 -91.000 TYR 45 0.840 -5.430 18.642 12.618 -99.200 -91.000 PHE 48 1.000 -10.033 21.428 12.096 -99.200 -91.000 PHE 50 1.000 -17.494 16.185 19.628 -99.200 -91.000 TYR 59 0.840 -20.094 16.212 27.068 -99.200 -91.000 TYR 60 0.840 -18.294 20.950 17.480 -99.200 -91.000 HIS 73 0.900 -3.713 30.470 25.955 -99.200 -91.000 PHE 106 1.000 24.030 37.949 20.464 -99.200 -91.000 HIS 115 0.900 15.431 31.090 19.565 -99.200 -91.000 PHE 116 1.000 20.163 35.027 18.401 -99.200 -91.000 HIS 132 0.900 12.630 22.485 13.396 -99.200 -91.000 TRP 133 1.040 3.910 20.836 17.866 -99.200 -91.000 TRP6 133 1.020 2.337 20.131 16.250 -99.200 -91.000 TYR 137 0.840 5.747 16.629 19.814 -99.200 -91.000 PHE 139 1.000 -5.263 9.728 21.932 -99.200 -91.000 HIS 150 0.900 -4.103 13.779 24.532 -99.200 -91.000 PHE 152 1.000 -7.594 16.069 34.763 -99.200 -91.000 PHE 153 1.000 -0.214 13.119 30.489 -99.200 -91.000 HIS 161 0.900 6.921 19.708 30.024 -99.200 -91.000 TYR 166 0.840 7.316 31.794 37.882 -99.200 -91.000 TYR 180 0.840 -3.956 35.505 30.658 -99.200 -91.000 HIS 188 0.900 -7.654 26.194 28.273 -99.200 -91.000 TYR 192 0.840 -10.223 19.927 27.692 -99.200 -91.000 TYR 224 0.840 -2.153 37.777 34.942 -99.200 -91.000 PHE 229 1.000 -8.021 38.231 34.206 -99.200 -91.000 HIS 230 0.900 -9.938 32.183 40.193 -99.200 -91.000 TYR 234 0.840 -11.970 35.403 29.116 -99.200 -91.000 PHE 236 1.000 -10.924 33.410 23.420 -99.200 -91.000 TYR 241 0.840 -17.964 26.916 18.524 -99.200 -91.000 TRP 248 1.040 -16.252 27.656 33.020 -99.200 -91.000 TRP6 248 1.020 -14.458 26.514 34.033 -99.200 -91.000 PHE 272 1.000 8.162 42.512 21.221 -99.200 -91.000 HIS 276 0.900 17.079 47.960 11.179 -99.200 -91.000 PHE 281 1.000 21.859 40.474 7.104 -99.200 -91.000 PHE 285 1.000 23.035 46.164 6.309 -99.200 -91.000 HIS 286 0.900 18.726 52.359 6.263 -99.200 -91.000 TYR 291 0.840 10.780 51.073 8.264 -99.200 -91.000 TYR 298 0.840 -0.982 53.331 4.756 -99.200 -91.000