============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. PHE 7 1.000 -2.716 59.449 -14.192 -99.200 -91.000 PHE 16 1.000 -6.870 80.202 -23.007 -99.200 -91.000 HIS 20 0.900 -20.494 77.483 -45.419 -99.200 -91.000 TRP 21 1.040 -23.604 74.017 -46.971 -99.200 -91.000 TRP6 21 1.020 -24.871 72.654 -45.505 -99.200 -91.000 TRP 34 1.040 -43.191 83.197 -35.919 -99.200 -91.000 TRP6 34 1.020 -41.810 81.875 -34.520 -99.200 -91.000 TYR 37 0.840 -36.604 86.458 -36.490 -99.200 -91.000 TRP 44 1.040 -33.104 80.765 -36.843 -99.200 -91.000 TRP6 44 1.020 -32.110 79.112 -35.467 -99.200 -91.000 PHE 52 1.000 -16.574 76.329 -23.689 -99.200 -91.000 PHE 65 1.000 -5.528 70.940 -26.811 -99.200 -91.000 PHE 69 1.000 -20.375 75.413 -32.480 -99.200 -91.000 TRP 76 1.040 -19.797 84.580 -15.381 -99.200 -91.000 TRP6 76 1.020 -21.234 83.584 -13.783 -99.200 -91.000 HIS 79 0.900 -12.142 79.904 -15.488 -99.200 -91.000 HIS 81 0.900 -22.143 75.301 -10.408 -99.200 -91.000 PHE 82 1.000 -20.095 73.305 -14.202 -99.200 -91.000 PHE 85 1.000 -18.218 70.888 -8.107 -99.200 -91.000 PHE 98 1.000 -22.007 63.542 -16.193 -99.200 -91.000 TYR 101 0.840 -26.971 65.849 -14.813 -99.200 -91.000 PHE 105 1.000 -28.388 75.969 -8.791 -99.200 -91.000 TYR 106 0.840 -26.649 76.377 -13.342 -99.200 -91.000 TRP 124 1.040 -12.791 60.755 -20.788 -99.200 -91.000 TRP6 124 1.020 -12.063 58.533 -20.453 -99.200 -91.000 TYR 136 0.840 -8.073 53.731 -30.816 -99.200 -91.000 PHE 149 1.000 -16.016 59.687 -40.592 -99.200 -91.000 TYR 150 0.840 -24.535 60.189 -41.769 -99.200 -91.000 PHE 163 1.000 -17.617 61.849 -46.902 -99.200 -91.000 TRP 164 1.040 -21.969 55.020 -44.858 -99.200 -91.000 TRP6 164 1.020 -24.311 54.856 -44.542 -99.200 -91.000 PHE 172 1.000 -39.090 75.546 -49.471 -99.200 -91.000 HIS 178 0.900 -51.955 70.593 -47.845 -99.200 -91.000 PHE 187 1.000 -33.680 69.831 -50.939 -99.200 -91.000 HIS 191 0.900 -30.540 66.943 -53.291 -99.200 -91.000 PHE 199 1.000 -24.667 58.408 -52.040 -99.200 -91.000 TYR 205 0.840 -31.410 72.980 -36.415 -99.200 -91.000 TYR 211 0.840 -44.718 69.382 -43.379 -99.200 -91.000 TRP 226 1.040 -31.029 58.788 -40.802 -99.200 -91.000 TRP6 226 1.020 -29.057 57.486 -40.954 -99.200 -91.000 TRP 227 1.040 -38.047 60.224 -43.761 -99.200 -91.000 TRP6 227 1.020 -38.501 62.108 -45.117 -99.200 -91.000 PHE 239 1.000 -39.339 60.880 -33.249 -99.200 -91.000 HIS 246 0.900 -45.435 56.922 -43.066 -99.200 -91.000 PHE 251 1.000 -39.954 58.127 -39.144 -99.200 -91.000 HIS 256 0.900 -30.445 70.017 -31.593 -99.200 -91.000 TYR 258 0.840 -29.190 69.070 -24.053 -99.200 -91.000 TYR 261 0.840 -30.558 60.316 -14.795 -99.200 -91.000 PHE 263 1.000 -29.165 61.037 -25.695 -99.200 -91.000 TRP 280 1.040 -25.887 70.850 -27.325 -99.200 -91.000 TRP6 280 1.020 -24.608 72.842 -27.384 -99.200 -91.000 TYR 297 0.840 -33.767 47.984 -23.868 -99.200 -91.000 HIS 304 0.900 -23.592 67.527 -34.342 -99.200 -91.000 TYR 309 0.840 -13.049 66.957 -28.938 -99.200 -91.000 TYR 311 0.840 -13.566 62.000 -36.366 -99.200 -91.000 HIS 312 0.900 -9.608 59.332 -30.338 -99.200 -91.000 PHE 313 1.000 -19.651 56.599 -28.482 -99.200 -91.000 PHE 322 1.000 -24.209 54.068 -40.019 -99.200 -91.000 TYR 325 0.840 -15.709 65.841 -41.757 -99.200 -91.000 PHE 339 1.000 -13.492 70.681 -33.429 -99.200 -91.000 PHE 343 1.000 -7.963 71.838 -32.099 -99.200 -91.000 TYR 353 0.840 -10.716 55.083 -46.039 -99.200 -91.000 PHE 364 1.000 -10.963 62.979 -27.020 -99.200 -91.000 TYR 381 0.840 -14.327 89.249 -22.268 -99.200 -91.000 PHE 383 1.000 -14.831 84.794 -15.025 -99.200 -91.000