============================================================================= 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 32.448 -1.979 46.424 -99.200 -91.000 TYR 12 0.840 22.568 -5.332 20.428 -99.200 -91.000 TRP 37 1.040 10.033 -2.445 27.909 -99.200 -91.000 TRP6 37 1.020 7.950 -1.366 27.586 -99.200 -91.000 PHE 47 1.000 8.016 -5.322 23.815 -99.200 -91.000 TRP 59 1.040 12.532 8.122 27.861 -99.200 -91.000 TRP6 59 1.020 12.588 6.425 29.495 -99.200 -91.000 PHE 60 1.000 8.955 9.318 31.011 -99.200 -91.000 PHE 71 1.000 2.167 12.619 9.290 -99.200 -91.000 TRP 73 1.040 -0.283 5.134 3.048 -99.200 -91.000 TRP6 73 1.020 1.951 5.661 2.453 -99.200 -91.000 TYR 84 0.840 4.323 3.574 30.476 -99.200 -91.000 TYR 93 0.840 21.093 15.056 20.517 -99.200 -91.000 TYR 99 0.840 13.502 8.378 15.444 -99.200 -91.000 TYR 122 0.840 34.001 1.271 6.141 -99.200 -91.000 PHE 123 1.000 37.063 -4.227 12.913 -99.200 -91.000 TYR 136 0.840 36.227 -9.620 10.134 -99.200 -91.000 TYR 139 0.840 37.533 -11.546 20.815 -99.200 -91.000 PHE 140 1.000 33.055 -8.878 13.524 -99.200 -91.000 HIS 151 0.900 22.197 -17.195 8.258 -99.200 -91.000 TRP 156 1.040 7.823 -18.945 4.410 -99.200 -91.000 TRP6 156 1.020 8.357 -16.915 5.438 -99.200 -91.000 PHE 157 1.000 13.024 -13.212 -0.020 -99.200 -91.000 TRP 162 1.040 2.891 -12.955 5.429 -99.200 -91.000 TRP6 162 1.020 1.791 -11.204 6.558 -99.200 -91.000 TYR 163 0.840 10.224 -11.393 4.269 -99.200 -91.000 PHE 165 1.000 9.255 -6.160 2.317 -99.200 -91.000 PHE 182 1.000 17.859 -14.454 0.557 -99.200 -91.000 TYR 187 0.840 10.467 -12.349 14.261 -99.200 -91.000 PHE 189 1.000 14.675 -14.580 9.033 -99.200 -91.000 TYR 191 0.840 6.849 -17.384 16.718 -99.200 -91.000 TYR 211 0.840 5.713 2.122 18.035 -99.200 -91.000 HIS 215 0.900 3.968 -13.807 20.669 -99.200 -91.000 TYR 224 0.840 25.976 -11.628 24.184 -99.200 -91.000 HIS 240 0.900 17.183 1.954 40.416 -99.200 -91.000 TYR 253 0.840 35.954 5.199 38.372 -99.200 -91.000 TYR 276 0.840 37.173 -4.401 38.918 -99.200 -91.000 PHE 278 1.000 33.436 -3.341 32.931 -99.200 -91.000 TRP 310 1.040 26.830 10.627 17.057 -99.200 -91.000 TRP6 310 1.020 25.341 11.392 15.384 -99.200 -91.000 HIS 323 0.900 7.248 1.147 -13.809 -99.200 -91.000 TRP 325 1.040 4.416 -2.760 -14.692 -99.200 -91.000 TRP6 325 1.020 3.811 -0.685 -15.674 -99.200 -91.000 HIS 331 0.900 -2.183 -8.492 4.240 -99.200 -91.000 TRP 343 1.040 30.837 -0.280 2.182 -99.200 -91.000 TRP6 343 1.020 29.911 1.538 3.336 -99.200 -91.000 PHE 351 1.000 24.549 -4.009 3.759 -99.200 -91.000 TRP 364 1.040 0.911 0.041 -6.856 -99.200 -91.000 TRP6 364 1.020 -1.255 0.591 -6.112 -99.200 -91.000 TYR 368 0.840 14.562 1.112 -1.946 -99.200 -91.000 PHE 380 1.000 26.775 13.254 21.238 -99.200 -91.000 TYR 382 0.840 27.607 19.814 30.915 -99.200 -91.000 TRP 393 1.040 24.479 15.845 11.699 -99.200 -91.000 TRP6 393 1.020 26.340 14.644 10.880 -99.200 -91.000 PHE 409 1.000 18.058 3.462 -3.186 -99.200 -91.000 TYR 420 0.840 14.755 9.313 -5.904 -99.200 -91.000 TYR 422 0.840 10.581 14.000 -5.431 -99.200 -91.000 PHE 425 1.000 11.176 10.182 4.166 -99.200 -91.000 PHE 432 1.000 17.445 10.902 -1.969 -99.200 -91.000 PHE 436 1.000 16.784 8.130 9.237 -99.200 -91.000 TYR 438 0.840 15.345 4.313 12.415 -99.200 -91.000 HIS 439 0.900 21.785 1.656 11.535 -99.200 -91.000 TYR 453 0.840 42.575 -4.457 23.874 -99.200 -91.000 TYR 459 0.840 39.426 9.685 35.335 -99.200 -91.000 TYR 463 0.840 37.478 -1.206 32.568 -99.200 -91.000 PHE 479 1.000 21.849 -6.764 16.120 -99.200 -91.000