============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. PHE 8 1.000 12.382 52.953 -0.535 -99.200 -91.000 TYR 9 0.840 8.781 50.382 -2.490 -99.200 -91.000 PHE 12 1.000 11.686 48.496 2.818 -99.200 -91.000 PHE 22 1.000 -2.950 35.384 3.575 -99.200 -91.000 PHE 25 1.000 -7.557 42.468 6.936 -99.200 -91.000 PHE 36 1.000 -4.054 52.801 0.760 -99.200 -91.000 PHE 38 1.000 0.422 42.914 4.419 -99.200 -91.000 TRP 73 1.040 1.747 41.662 -18.940 -99.200 -91.000 TRP6 73 1.020 1.403 39.330 -19.241 -99.200 -91.000 TYR 74 0.840 5.643 39.912 -12.052 -99.200 -91.000 PHE 84 1.000 -3.327 53.887 -5.478 -99.200 -91.000 TYR 96 0.840 -14.649 53.287 -6.067 -99.200 -91.000 PHE 98 1.000 -3.882 49.325 -2.777 -99.200 -91.000 HIS 109 0.900 0.907 40.944 -12.517 -99.200 -91.000 TYR 123 0.840 17.246 29.649 -22.206 -99.200 -91.000 PHE 127 1.000 18.543 31.840 -27.809 -99.200 -91.000 TYR 137 0.840 18.069 30.223 -6.373 -99.200 -91.000 PHE 138 1.000 13.072 33.683 -12.771 -99.200 -91.000 PHE 142 1.000 7.724 34.677 -12.541 -99.200 -91.000 TYR 143 0.840 6.250 29.160 -13.001 -99.200 -91.000 HIS 156 0.900 -7.707 45.230 -1.210 -99.200 -91.000 PHE 160 1.000 -11.374 44.626 1.863 -99.200 -91.000 HIS 163 0.900 -15.171 29.141 -0.197 -99.200 -91.000 TYR 181 0.840 -11.422 8.965 -10.397 -99.200 -91.000 TYR 191 0.840 -3.191 10.965 -25.159 -99.200 -91.000 TYR 192 0.840 -3.392 7.383 -21.894 -99.200 -91.000 TYR 216 0.840 -4.485 24.056 1.537 -99.200 -91.000 HIS 220 0.900 -3.413 27.993 -3.178 -99.200 -91.000 TYR 222 0.840 -9.479 20.738 -9.540 -99.200 -91.000 HIS 223 0.900 -2.026 23.259 -10.156 -99.200 -91.000 PHE 226 1.000 -6.923 18.326 -13.615 -99.200 -91.000 PHE 229 1.000 -7.038 11.567 -8.229 -99.200 -91.000 HIS 239 0.900 3.950 -1.224 -16.195 -99.200 -91.000 HIS 240 0.900 -0.859 -2.196 -15.406 -99.200 -91.000 TYR 246 0.840 -5.877 -0.133 -18.988 -99.200 -91.000 HIS 252 0.900 -5.238 5.726 4.296 -99.200 -91.000 PHE 280 1.000 8.325 16.880 -8.011 -99.200 -91.000 TYR 282 0.840 10.053 24.775 -12.730 -99.200 -91.000 TYR 284 0.840 13.900 14.959 -18.862 -99.200 -91.000 PHE 303 1.000 2.499 25.799 -21.996 -99.200 -91.000 TYR 305 0.840 7.414 24.629 -16.856 -99.200 -91.000 TYR 313 0.840 -0.858 26.288 -6.558 -99.200 -91.000 TYR 316 0.840 1.445 30.671 -0.675 -99.200 -91.000 PHE 317 1.000 -1.136 29.258 2.632 -99.200 -91.000 TYR 324 0.840 8.774 9.206 -0.730 -99.200 -91.000 TYR 329 0.840 3.815 -2.570 -7.071 -99.200 -91.000 TYR 336 0.840 4.199 14.340 3.590 -99.200 -91.000 TYR 351 0.840 18.171 40.461 -5.462 -99.200 -91.000 TRP 356 1.040 24.196 38.930 -7.610 -99.200 -91.000 TRP6 356 1.020 26.491 38.477 -7.202 -99.200 -91.000 HIS 358 0.900 21.356 28.699 -5.697 -99.200 -91.000 TYR 359 0.840 19.322 33.815 -9.829 -99.200 -91.000 TRP 365 1.040 29.766 13.774 0.489 -99.200 -91.000 TRP6 365 1.020 29.796 11.676 1.618 -99.200 -91.000