============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. HIS 2 0.900 30.413 45.051 0.146 -99.200 -91.000 TYR 13 0.840 20.039 48.613 1.029 -99.200 -91.000 PHE 23 1.000 22.609 37.973 16.969 -99.200 -91.000 PHE 24 1.000 18.496 34.321 12.579 -99.200 -91.000 HIS 27 0.900 31.203 31.450 11.040 -99.200 -91.000 HIS 32 0.900 24.908 30.110 17.621 -99.200 -91.000 TRP 40 1.040 21.979 14.759 23.589 -99.200 -91.000 TRP6 40 1.020 20.120 14.675 25.092 -99.200 -91.000 PHE 43 1.000 20.380 16.944 30.407 -99.200 -91.000 PHE 50 1.000 21.591 6.953 27.919 -99.200 -91.000 PHE 51 1.000 28.600 9.505 29.131 -99.200 -91.000 HIS 57 0.900 42.291 19.063 31.007 -99.200 -91.000 HIS 86 0.900 21.445 14.866 7.375 -99.200 -91.000 TYR 93 0.840 30.113 11.195 9.809 -99.200 -91.000 PHE 94 1.000 34.096 20.541 14.289 -99.200 -91.000 TYR 113 0.840 26.994 6.644 25.127 -99.200 -91.000 HIS 115 0.900 22.254 13.857 16.035 -99.200 -91.000 TYR 116 0.840 22.615 6.756 23.102 -99.200 -91.000 TYR 128 0.840 17.009 27.880 11.825 -99.200 -91.000 TYR 158 0.840 9.541 69.414 17.179 -99.200 -91.000 HIS 160 0.900 1.505 75.183 23.298 -99.200 -91.000 HIS 168 0.900 -12.825 61.935 4.282 -99.200 -91.000 PHE 177 1.000 5.969 66.556 13.767 -99.200 -91.000 PHE 184 1.000 2.494 57.527 12.980 -99.200 -91.000 TYR 185 0.840 6.065 55.969 23.328 -99.200 -91.000 HIS 189 0.900 4.818 50.970 25.713 -99.200 -91.000 HIS 190 0.900 -0.781 46.467 21.926 -99.200 -91.000 HIS 191 0.900 1.893 47.178 16.706 -99.200 -91.000 PHE 204 1.000 18.193 17.931 22.000 -99.200 -91.000 PHE 211 1.000 10.792 12.679 24.950 -99.200 -91.000 HIS 214 0.900 14.979 10.458 23.201 -99.200 -91.000 TRP 223 1.040 13.828 9.494 28.169 -99.200 -91.000 TRP6 223 1.020 16.045 10.295 27.968 -99.200 -91.000 PHE 230 1.000 19.931 19.616 26.277 -99.200 -91.000 HIS 234 0.900 23.375 22.024 29.760 -99.200 -91.000 PHE 235 1.000 20.782 24.516 24.495 -99.200 -91.000 TYR 239 0.840 10.052 19.569 26.314 -99.200 -91.000 TYR 242 0.840 1.643 16.998 23.810 -99.200 -91.000 HIS 249 0.900 9.023 25.187 11.945 -99.200 -91.000 TYR 251 0.840 9.696 29.859 18.243 -99.200 -91.000 TRP 274 1.040 7.195 60.934 0.313 -99.200 -91.000 TRP6 274 1.020 5.491 61.836 -1.038 -99.200 -91.000 TYR 276 0.840 2.363 65.292 9.206 -99.200 -91.000 HIS 291 0.900 19.476 76.970 -1.950 -99.200 -91.000 PHE 298 1.000 11.343 60.154 7.605 -99.200 -91.000 HIS 306 0.900 5.252 48.732 1.406 -99.200 -91.000 PHE 311 1.000 12.377 37.567 2.736 -99.200 -91.000 PHE 312 1.000 8.800 39.964 9.425 -99.200 -91.000 PHE 315 1.000 10.109 33.827 7.117 -99.200 -91.000 TYR 343 0.840 15.269 42.466 2.536 -99.200 -91.000 TYR 348 0.840 12.582 47.786 12.521 -99.200 -91.000 TRP 373 1.040 -8.974 82.106 10.655 -99.200 -91.000 TRP6 373 1.020 -9.621 82.982 12.774 -99.200 -91.000 HIS 387 0.900 -24.326 79.037 26.378 -99.200 -91.000 TYR 389 0.840 -29.191 78.910 16.753 -99.200 -91.000 TYR 393 0.840 -24.046 71.597 8.341 -99.200 -91.000 PHE 399 1.000 -22.819 85.116 8.284 -99.200 -91.000 PHE 413 1.000 -22.711 81.689 12.552 -99.200 -91.000 PHE 420 1.000 -27.407 82.433 20.646 -99.200 -91.000 TYR 437 0.840 -11.646 73.461 17.786 -99.200 -91.000 TYR 440 0.840 -8.108 68.826 27.493 -99.200 -91.000 TYR 443 0.840 -3.348 65.408 29.797 -99.200 -91.000