============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. PHE 11 1.000 -10.604 12.622 -42.119 -99.200 -91.000 PHE 40 1.000 -8.611 7.508 -29.223 -99.200 -91.000 PHE 42 1.000 -5.517 11.560 -33.788 -99.200 -91.000 TYR 51 0.840 -4.926 10.923 -28.203 -99.200 -91.000 PHE 67 1.000 4.703 3.262 -20.122 -99.200 -91.000 PHE 77 1.000 3.358 22.511 -32.538 -99.200 -91.000 PHE 81 1.000 4.450 30.205 -25.303 -99.200 -91.000 PHE 87 1.000 2.791 22.408 -17.886 -99.200 -91.000 TRP 90 1.040 12.748 16.869 -23.964 -99.200 -91.000 TRP6 90 1.020 11.217 15.264 -24.800 -99.200 -91.000 HIS 92 0.900 16.259 13.983 -21.893 -99.200 -91.000 TRP 96 1.040 12.084 18.534 -14.348 -99.200 -91.000 TRP6 96 1.020 12.458 16.778 -12.792 -99.200 -91.000 HIS 100 0.900 11.590 18.564 -8.639 -99.200 -91.000 PHE 107 1.000 5.356 26.549 -5.941 -99.200 -91.000 TYR 115 0.840 3.986 31.651 -1.999 -99.200 -91.000 HIS 116 0.900 -4.403 33.080 3.988 -99.200 -91.000 TRP 130 1.040 -17.428 39.895 -8.846 -99.200 -91.000 TRP6 130 1.020 -17.431 37.561 -8.479 -99.200 -91.000 HIS 138 0.900 -23.587 40.963 -17.548 -99.200 -91.000 PHE 158 1.000 7.117 35.467 -10.833 -99.200 -91.000 TYR 160 0.840 4.630 43.559 -12.876 -99.200 -91.000 PHE 162 1.000 1.010 40.129 -14.310 -99.200 -91.000 PHE 165 1.000 -9.909 41.675 -9.793 -99.200 -91.000 TYR 166 0.840 -6.716 49.302 -9.515 -99.200 -91.000 HIS 171 0.900 -1.499 42.843 -17.971 -99.200 -91.000 PHE 173 1.000 2.013 37.146 -19.519 -99.200 -91.000 TYR 198 0.840 -0.560 26.926 -42.216 -99.200 -91.000 PHE 205 1.000 3.980 30.867 -31.190 -99.200 -91.000 HIS 236 0.900 13.032 30.470 -2.514 -99.200 -91.000 TYR 256 0.840 13.507 29.832 -22.398 -99.200 -91.000 PHE 261 1.000 7.040 28.084 -11.437 -99.200 -91.000 HIS 266 0.900 -2.984 33.314 -15.822 -99.200 -91.000 PHE 275 1.000 -14.636 23.927 -17.052 -99.200 -91.000 TYR 278 0.840 -21.681 24.795 -16.085 -99.200 -91.000 PHE 279 1.000 -19.485 20.995 -13.427 -99.200 -91.000 HIS 285 0.900 -31.427 20.658 -3.622 -99.200 -91.000 TYR 305 0.840 -1.981 28.052 5.468 -99.200 -91.000 TYR 313 0.840 -19.957 20.171 -0.016 -99.200 -91.000 TRP 325 1.040 -16.111 19.703 -18.013 -99.200 -91.000 TRP6 325 1.020 -15.544 18.767 -20.115 -99.200 -91.000 PHE 331 1.000 -0.678 12.688 -17.177 -99.200 -91.000 TYR 334 0.840 10.483 9.151 -22.823 -99.200 -91.000 TYR 345 0.840 -4.104 -2.917 -26.166 -99.200 -91.000 HIS 361 0.900 -10.001 13.187 -13.630 -99.200 -91.000 TRP 367 1.040 -14.164 8.284 -11.084 -99.200 -91.000 TRP6 367 1.020 -13.442 9.500 -9.180 -99.200 -91.000 PHE 374 1.000 -19.760 19.923 -8.966 -99.200 -91.000 PHE 379 1.000 -13.034 14.009 -5.690 -99.200 -91.000 HIS 388 0.900 -0.775 6.119 -10.373 -99.200 -91.000 PHE 390 1.000 -9.160 14.178 -8.629 -99.200 -91.000 PHE 393 1.000 -3.910 19.739 -9.123 -99.200 -91.000 PHE 405 1.000 0.265 30.262 -5.563 -99.200 -91.000 HIS 408 0.900 -4.323 28.516 1.353 -99.200 -91.000 HIS 420 0.900