============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. PHE 3 1.000 -46.399 -0.547 17.778 -99.200 -91.000 PHE 4 1.000 -36.881 1.220 19.670 -99.200 -91.000 TYR 8 0.840 -34.145 -3.710 12.689 -99.200 -91.000 TYR 11 0.840 -41.267 1.426 11.892 -99.200 -91.000 PHE 15 1.000 -34.287 2.284 2.331 -99.200 -91.000 HIS 18 0.900 -38.134 3.677 -2.286 -99.200 -91.000 TYR 22 0.840 -34.709 2.038 -6.069 -99.200 -91.000 HIS 31 0.900 -26.683 -11.249 -6.406 -99.200 -91.000 TYR 35 0.840 -23.763 -4.393 1.020 -99.200 -91.000 TYR 36 0.840 -28.132 -1.490 0.160 -99.200 -91.000 PHE 40 1.000 -31.445 -0.070 6.478 -99.200 -91.000 TYR 42 0.840 -21.749 -6.162 11.376 -99.200 -91.000 TYR 59 0.840 -46.612 10.018 20.128 -99.200 -91.000 TYR 61 0.840 -44.457 8.734 30.879 -99.200 -91.000 TRP 71 1.040 -48.356 3.126 20.908 -99.200 -91.000 TRP6 71 1.020 -46.585 4.179 22.091 -99.200 -91.000 TRP 79 1.040 -36.980 0.683 15.380 -99.200 -91.000 TRP6 79 1.020 -34.862 -0.233 15.979 -99.200 -91.000 PHE 88 1.000 -24.886 11.516 12.317 -99.200 -91.000 TYR 105 0.840 -13.555 -8.853 13.516 -99.200 -91.000 TRP 107 1.040 -20.957 -1.817 6.692 -99.200 -91.000 TRP6 107 1.020 -21.996 -3.942 6.461 -99.200 -91.000 TYR 108 0.840 -13.156 0.942 9.226 -99.200 -91.000 TYR 126 0.840 -28.749 12.163 6.438 -99.200 -91.000 TYR 130 0.840 -33.861 13.152 5.929 -99.200 -91.000 TYR 136 0.840 -44.071 3.367 8.246 -99.200 -91.000 TYR 143 0.840 -43.169 14.661 5.401 -99.200 -91.000 PHE 150 1.000 -34.925 12.373 12.026 -99.200 -91.000 HIS 162 0.900 -13.932 20.340 9.666 -99.200 -91.000 PHE 168 1.000 -5.506 18.729 20.136 -99.200 -91.000 TYR 172 0.840 -8.973 24.047 11.308 -99.200 -91.000 PHE 195 1.000 -12.403 21.011 31.150 -99.200 -91.000 TYR 198 0.840 -14.755 17.675 26.024 -99.200 -91.000 HIS 204 0.900 -21.992 22.894 17.547 -99.200 -91.000 TYR 208 0.840 -27.569 21.279 18.789 -99.200 -91.000 TYR 209 0.840 -25.722 11.343 17.185 -99.200 -91.000 PHE 211 1.000 -28.178 12.958 25.498 -99.200 -91.000 PHE 212 1.000 -33.190 20.740 19.923 -99.200 -91.000 TYR 231 0.840 -40.619 22.162 20.549 -99.200 -91.000 TYR 244 0.840 -24.203 12.862 33.093 -99.200 -91.000 PHE 245 1.000 -24.196 9.004 25.804 -99.200 -91.000 HIS 248 0.900 -20.137 6.827 31.166 -99.200 -91.000 TYR 251 0.840 -14.501 6.997 33.802 -99.200 -91.000 PHE 255 1.000 -9.618 6.097 33.807 -99.200 -91.000 TRP 275 1.040 -13.875 16.311 31.726 -99.200 -91.000 TRP6 275 1.020 -13.006 14.999 33.502 -99.200 -91.000 PHE 281 1.000 -1.584 20.483 28.408 -99.200 -91.000 TYR 296 0.840 -3.556 12.813 23.742 -99.200 -91.000 TYR 311 0.840 -5.261 10.671 30.500 -99.200 -91.000 TYR 314 0.840 -0.833 15.188 37.339 -99.200 -91.000 HIS 319 0.900 -9.518 15.868 39.787 -99.200 -91.000 TYR 320 0.840 -16.982 10.421 34.608 -99.200 -91.000 TYR 323 0.840 -18.775 16.553 33.919 -99.200 -91.000 HIS 339 0.900 -42.284 25.476 35.723 -99.200 -91.000 HIS 340 0.900 -45.099 17.934 29.443 -99.200 -91.000 TYR 345 0.840 -41.021 8.243 34.669 -99.200 -91.000 TYR 349 0.840 -36.490 4.923 32.431 -99.200 -91.000 PHE 355 1.000 -23.435 7.675 32.251 -99.200 -91.000