============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. PHE 10 1.000 -33.434 -34.262 6.113 -99.200 -91.000 TYR 17 0.840 -45.315 -29.433 17.855 -99.200 -91.000 TYR 26 0.840 -44.617 -25.859 21.749 -99.200 -91.000 TYR 27 0.840 -36.888 -20.789 18.878 -99.200 -91.000 TYR 28 0.840 -33.196 -28.481 21.686 -99.200 -91.000 PHE 41 1.000 -29.019 -14.388 18.949 -99.200 -91.000 PHE 46 1.000 -26.541 -23.134 27.908 -99.200 -91.000 HIS 50 0.900 -24.677 -26.009 25.756 -99.200 -91.000 PHE 62 1.000 -23.872 -19.670 25.052 -99.200 -91.000 HIS 75 0.900 -5.735 -11.716 6.210 -99.200 -91.000 PHE 80 1.000 -15.423 -7.697 6.581 -99.200 -91.000 TYR 83 0.840 -15.113 -8.892 1.617 -99.200 -91.000 HIS 88 0.900 -28.270 -9.274 -1.686 -99.200 -91.000 PHE 92 1.000 -19.118 -6.873 3.748 -99.200 -91.000 PHE 100 1.000 -13.711 -16.147 11.404 -99.200 -91.000 TYR 116 0.840 -20.684 -25.212 22.422 -99.200 -91.000 PHE 126 1.000 -23.347 -15.487 10.263 -99.200 -91.000 HIS 151 0.900 -24.872 -11.278 19.236 -99.200 -91.000 PHE 155 1.000 -27.082 -6.354 14.161 -99.200 -91.000 TYR 157 0.840 -20.881 1.035 20.234 -99.200 -91.000 HIS 179 0.900 -37.416 -12.740 12.696 -99.200 -91.000 HIS 182 0.900 -40.608 -21.106 11.273 -99.200 -91.000 PHE 184 1.000 -34.616 -30.433 9.954 -99.200 -91.000 PHE 189 1.000 -32.642 -30.514 2.533 -99.200 -91.000 PHE 195 1.000 -21.823 -31.616 9.603 -99.200 -91.000 TYR 202 0.840 -14.957 -21.519 9.809 -99.200 -91.000 HIS 217 0.900 -35.322 -19.512 4.232 -99.200 -91.000 TRP 240 1.040 -52.005 1.277 -1.378 -99.200 -91.000 TRP6 240 1.020 -51.694 -0.772 -0.238 -99.200 -91.000 HIS 256 0.900 -46.398 -17.552 7.978 -99.200 -91.000 TYR 259 0.840 -46.385 -20.100 12.462 -99.200 -91.000 PHE 262 1.000 -52.150 -18.503 17.842 -99.200 -91.000 HIS 280 0.900 -35.834 5.774 21.384 -99.200 -91.000 HIS 282 0.900 -46.129 6.586 17.518 -99.200 -91.000 TYR 286 0.840 -45.329 2.127 15.237 -99.200 -91.000 TYR 306 0.840 -56.327 -13.495 13.342 -99.200 -91.000 PHE 311 1.000 -48.870 -5.245 9.225 -99.200 -91.000 TYR 312 0.840 -47.083 -6.207 13.827 -99.200 -91.000 TYR 317 0.840 -35.324 -6.570 11.670 -99.200 -91.000 PHE 322 1.000 -29.787 -2.557 11.444 -99.200 -91.000 PHE 326 1.000 -26.788 -3.637 5.475 -99.200 -91.000 PHE 327 1.000 -35.974 -4.417 6.194 -99.200 -91.000 PHE 331 1.000 -34.748 -15.289 8.515 -99.200 -91.000 TRP 339 1.040 -28.861 -21.410 9.207 -99.200 -91.000 TRP6 339 1.020 -27.892 -19.461 8.278 -99.200 -91.000 HIS 342 0.900 -32.224 -27.454 12.797 -99.200 -91.000 TYR 346 0.840 -27.910 -34.918 9.204 -99.200 -91.000 TYR 360 0.840 -31.852 -40.679 -18.263 -99.200 -91.000 TYR 368 0.840 -18.233 -37.799 -30.264 -99.200 -91.000