============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 66 rings ring int. center anis. iso. TYR 2 0.840 32.630 -1.752 46.371 -99.200 -91.000 TYR 12 0.840 22.601 -5.227 20.354 -99.200 -91.000 TRP 37 1.040 10.084 -2.350 27.893 -99.200 -91.000 TRP6 37 1.020 8.016 -1.288 27.628 -99.200 -91.000 PHE 47 1.000 8.053 -5.247 23.847 -99.200 -91.000 TRP 59 1.040 12.533 8.210 27.762 -99.200 -91.000 TRP6 59 1.020 12.596 6.529 29.434 -99.200 -91.000 PHE 60 1.000 8.963 9.405 30.927 -99.200 -91.000 PHE 71 1.000 2.056 12.602 9.093 -99.200 -91.000 TRP 73 1.040 -0.324 4.887 3.028 -99.200 -91.000 TRP6 73 1.020 1.886 5.472 2.395 -99.200 -91.000 TYR 84 0.840 4.341 3.655 30.452 -99.200 -91.000 TYR 93 0.840 20.979 15.050 20.410 -99.200 -91.000 TYR 99 0.840 13.467 8.503 15.389 -99.200 -91.000 TYR 122 0.840 33.972 1.395 6.003 -99.200 -91.000 PHE 123 1.000 37.052 -4.152 12.711 -99.200 -91.000 TYR 136 0.840 36.233 -9.400 9.937 -99.200 -91.000 TYR 139 0.840 37.750 -11.415 20.429 -99.200 -91.000 PHE 140 1.000 32.972 -8.728 13.373 -99.200 -91.000 HIS 151 0.900 22.301 -17.382 8.439 -99.200 -91.000 TRP 156 1.040 7.863 -18.962 4.474 -99.200 -91.000 TRP6 156 1.020 8.433 -16.949 5.514 -99.200 -91.000 PHE 157 1.000 13.099 -13.335 0.114 -99.200 -91.000 TRP 162 1.040 2.967 -12.982 5.470 -99.200 -91.000 TRP6 162 1.020 1.860 -11.226 6.562 -99.200 -91.000 TYR 163 0.840 10.335 -11.434 4.327 -99.200 -91.000 PHE 165 1.000 9.329 -6.237 2.357 -99.200 -91.000 PHE 182 1.000 17.942 -14.487 0.535 -99.200 -91.000 TYR 187 0.840 10.527 -12.245 14.261 -99.200 -91.000 PHE 189 1.000 14.730 -14.530 9.054 -99.200 -91.000 TYR 191 0.840 6.904 -17.246 16.781 -99.200 -91.000 TYR 211 0.840 5.709 2.176 18.039 -99.200 -91.000 HIS 215 0.900 3.999 -13.671 20.701 -99.200 -91.000 TYR 224 0.840 26.049 -11.537 24.144 -99.200 -91.000 HIS 240 0.900 17.239 2.029 40.308 -99.200 -91.000 TYR 253 0.840 36.113 5.288 38.210 -99.200 -91.000 TYR 276 0.840 37.208 -4.275 38.744 -99.200 -91.000 PHE 278 1.000 33.541 -3.157 32.777 -99.200 -91.000 TRP 310 1.040 26.788 10.724 16.936 -99.200 -91.000 TRP6 310 1.020 25.292 11.499 15.284 -99.200 -91.000 HIS 323 0.900 7.273 1.003 -13.813 -99.200 -91.000 TRP 325 1.040 4.599 -2.880 -14.718 -99.200 -91.000 TRP6 325 1.020 3.953 -0.815 -15.704 -99.200 -91.000 HIS 331 0.900 -1.866 -9.407 3.589 -99.200 -91.000 TRP 343 1.040 30.869 -0.206 2.100 -99.200 -91.000 TRP6 343 1.020 29.898 1.603 3.235 -99.200 -91.000 PHE 351 1.000 24.478 -4.154 3.270 -99.200 -91.000 TRP 364 1.040 0.922 -0.222 -6.831 -99.200 -91.000 TRP6 364 1.020 -1.210 0.330 -6.086 -99.200 -91.000 TYR 368 0.840 14.606 1.032 -1.941 -99.200 -91.000 PHE 380 1.000 26.115 13.589 21.227 -99.200 -91.000 TYR 382 0.840 27.467 19.678 30.965 -99.200 -91.000 TRP 393 1.040 24.393 15.991 11.626 -99.200 -91.000 TRP6 393 1.020 26.232 14.763 10.774 -99.200 -91.000 PHE 409 1.000 18.043 3.418 -3.214 -99.200 -91.000 TYR 420 0.840 14.675 9.192 -6.010 -99.200 -91.000 TYR 422 0.840 10.473 13.864 -5.557 -99.200 -91.000 PHE 425 1.000 11.100 9.940 3.943 -99.200 -91.000 PHE 432 1.000 17.372 10.797 -2.058 -99.200 -91.000 PHE 436 1.000 16.699 8.251 9.184 -99.200 -91.000 TYR 438 0.840 15.343 4.351 12.288 -99.200 -91.000 HIS 439 0.900 21.716 1.676 11.509 -99.200 -91.000 TYR 453 0.840 42.629 -4.288 23.713 -99.200 -91.000 TYR 459 0.840 39.517 9.881 35.112 -99.200 -91.000 TYR 463 0.840 37.553 -1.002 32.345 -99.200 -91.000 PHE 479 1.000 21.873 -6.638 16.043 -99.200 -91.000