============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 69 rings ring int. center anis. iso. PHE 12 1.000 68.678 8.862 7.103 -99.200 -91.000 PHE 19 1.000 76.428 11.280 6.816 -99.200 -91.000 TYR 38 0.840 69.533 23.268 7.849 -99.200 -91.000 HIS 50 0.900 61.249 21.309 -3.166 -99.200 -91.000 HIS 74 0.900 76.341 2.953 4.395 -99.200 -91.000 TRP 79 1.040 70.417 21.498 -1.575 -99.200 -91.000 TRP6 79 1.020 70.101 21.784 -3.919 -99.200 -91.000 PHE 87 1.000 66.316 34.525 1.882 -99.200 -91.000 TYR 89 0.840 66.871 32.800 -8.139 -99.200 -91.000 TYR 119 0.840 94.920 37.421 -4.343 -99.200 -91.000 PHE 128 1.000 78.664 38.918 -1.003 -99.200 -91.000 TYR 132 0.840 80.901 47.553 4.806 -99.200 -91.000 TYR 134 0.840 90.169 40.582 7.241 -99.200 -91.000 PHE 146 1.000 77.277 44.063 -0.842 -99.200 -91.000 TYR 166 0.840 72.041 45.285 -8.200 -99.200 -91.000 TYR 169 0.840 86.316 44.446 -10.330 -99.200 -91.000 HIS 172 0.900 78.428 39.149 -7.716 -99.200 -91.000 PHE 173 1.000 81.848 31.313 -13.815 -99.200 -91.000 TYR 189 0.840 90.048 20.452 -11.175 -99.200 -91.000 TRP 202 1.040 93.526 28.516 -6.975 -99.200 -91.000 TRP6 202 1.020 92.996 27.871 -4.751 -99.200 -91.000 PHE 205 1.000 96.380 32.880 -17.251 -99.200 -91.000 TRP 207 1.040 91.812 32.357 -19.384 -99.200 -91.000 TRP6 207 1.020 89.502 32.733 -18.971 -99.200 -91.000 TYR 209 0.840 98.872 22.814 -20.530 -99.200 -91.000 PHE 217 1.000 84.089 21.364 -10.926 -99.200 -91.000 TYR 222 0.840 78.675 18.001 -13.889 -99.200 -91.000 PHE 230 1.000 85.256 37.249 -3.808 -99.200 -91.000 TRP 231 1.040 90.619 38.588 -10.276 -99.200 -91.000 TRP6 231 1.020 90.168 38.353 -12.606 -99.200 -91.000 PHE 239 1.000 78.896 55.468 -5.272 -99.200 -91.000 PHE 242 1.000 73.551 58.521 -13.465 -99.200 -91.000 PHE 246 1.000 63.745 58.141 -18.139 -99.200 -91.000 TRP 279 1.040 62.699 46.237 -7.678 -99.200 -91.000 TRP6 279 1.020 63.023 43.970 -8.276 -99.200 -91.000 HIS 285 0.900 61.169 49.301 3.560 -99.200 -91.000 TYR 291 0.840 49.029 54.004 -2.421 -99.200 -91.000 HIS 297 0.900 45.138 43.564 -12.942 -99.200 -91.000 TRP 315 1.040 59.532 51.941 -17.640 -99.200 -91.000 TRP6 315 1.020 59.728 49.645 -17.005 -99.200 -91.000 TYR 318 0.840 67.382 54.177 -8.266 -99.200 -91.000 TYR 322 0.840 81.300 52.875 -9.460 -99.200 -91.000 TRP 332 1.040 77.033 65.088 -13.982 -99.200 -91.000 TRP6 332 1.020 75.372 63.441 -13.551 -99.200 -91.000 PHE 339 1.000 69.904 59.783 -18.956 -99.200 -91.000 PHE 359 1.000 70.445 58.901 -5.095 -99.200 -91.000 TYR 361 0.840 67.209 49.559 -2.468 -99.200 -91.000 PHE 375 1.000 65.865 40.200 1.944 -99.200 -91.000 TYR 378 0.840 61.370 38.753 -0.458 -99.200 -91.000 TRP 380 1.040 53.000 44.830 -4.258 -99.200 -91.000 TRP6 380 1.020 52.429 47.140 -4.165 -99.200 -91.000 TRP 388 1.040 64.058 36.044 -6.993 -99.200 -91.000 TRP6 388 1.020 63.623 38.375 -6.947 -99.200 -91.000 PHE 389 1.000 59.584 34.281 -16.563 -99.200 -91.000 HIS 412 0.900 48.328 42.959 -14.915 -99.200 -91.000 TYR 414 0.840 47.472 31.962 -14.266 -99.200 -91.000 TYR 418 0.840 56.234 44.144 -15.699 -99.200 -91.000 PHE 422 1.000 62.980 45.442 -18.891 -99.200 -91.000 HIS 430 0.900 70.845 39.817 -17.506 -99.200 -91.000 HIS 431 0.900 60.795 41.587 -18.278 -99.200 -91.000 TYR 437 0.840 53.266 32.613 -4.168 -99.200 -91.000 PHE 452 1.000 58.493 30.560 -12.088 -99.200 -91.000 PHE 459 1.000 58.443 36.214 -21.069 -99.200 -91.000 TYR 464 0.840 62.167 36.748 -25.495 -99.200 -91.000 TYR 467 0.840 69.808 35.101 -16.270 -99.200 -91.000 PHE 473 1.000 57.834 26.007 -11.622 -99.200 -91.000 TYR 481 0.840 68.920 27.022 -21.552 -99.200 -91.000 HIS 490 0.900 71.188 13.964 -17.403 -99.200 -91.000 PHE 515 1.000 67.555 13.579 -20.898 -99.200 -91.000