============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 61 rings ring int. center anis. iso. PHE 29 1.000 -0.324 8.651 -29.035 -99.200 -91.000 TRP 30 1.040 -2.587 9.447 -24.442 -99.200 -91.000 TRP6 30 1.020 -3.557 7.457 -25.266 -99.200 -91.000 PHE 41 1.000 -2.455 2.486 -29.085 -99.200 -91.000 PHE 52 1.000 9.406 0.638 -19.419 -99.200 -91.000 TRP 53 1.040 5.200 2.735 -24.730 -99.200 -91.000 TRP6 53 1.020 5.773 4.163 -26.524 -99.200 -91.000 PHE 61 1.000 -3.839 11.427 -9.966 -99.200 -91.000 HIS 67 0.900 2.753 2.099 -19.936 -99.200 -91.000 TRP 68 1.040 7.873 -4.284 -19.628 -99.200 -91.000 TRP6 68 1.020 9.603 -4.119 -21.278 -99.200 -91.000 TYR 73 0.840 -8.317 -10.807 -29.322 -99.200 -91.000 PHE 77 1.000 -8.269 -15.006 -24.426 -99.200 -91.000 TYR 78 0.840 -0.211 -16.072 -21.336 -99.200 -91.000 HIS 82 0.900 -2.412 -17.421 -18.427 -99.200 -91.000 PHE 86 1.000 0.851 -10.815 -17.760 -99.200 -91.000 TYR 89 0.840 -1.512 -4.749 -3.716 -99.200 -91.000 TYR 104 0.840 -11.201 9.450 -0.689 -99.200 -91.000 PHE 105 1.000 -10.430 7.245 -6.362 -99.200 -91.000 HIS 116 0.900 -12.269 -9.995 -8.393 -99.200 -91.000 PHE 127 1.000 -24.188 -4.743 -11.255 -99.200 -91.000 HIS 144 0.900 -41.141 6.535 -24.510 -99.200 -91.000 HIS 185 0.900 -30.494 10.081 -10.191 -99.200 -91.000 PHE 189 1.000 -22.855 12.460 -15.976 -99.200 -91.000 HIS 190 0.900 -18.715 18.557 -10.751 -99.200 -91.000 TRP 191 1.040 -19.038 15.055 -6.172 -99.200 -91.000 TRP6 191 1.020 -20.591 14.247 -4.575 -99.200 -91.000 PHE 198 1.000 -6.291 15.856 -12.022 -99.200 -91.000 PHE 207 1.000 -3.735 14.878 -6.287 -99.200 -91.000 PHE 210 1.000 -8.700 12.379 -8.482 -99.200 -91.000 TYR 220 0.840 -24.611 10.975 -1.907 -99.200 -91.000 HIS 232 0.900 -33.055 -4.409 2.730 -99.200 -91.000 HIS 233 0.900 -34.543 2.956 1.455 -99.200 -91.000 PHE 258 1.000 -18.310 -3.744 -4.043 -99.200 -91.000 PHE 259 1.000 -22.110 5.565 -3.629 -99.200 -91.000 HIS 276 0.900 -16.340 7.437 -29.484 -99.200 -91.000 TYR 284 0.840 -18.302 4.623 -40.791 -99.200 -91.000 TRP 291 1.040 -29.633 -2.186 -35.101 -99.200 -91.000 TRP6 291 1.020 -28.562 -0.866 -33.445 -99.200 -91.000 TRP 292 1.040 -32.827 3.761 -37.704 -99.200 -91.000 TRP6 292 1.020 -31.583 3.089 -35.775 -99.200 -91.000 PHE 295 1.000 -33.211 -1.770 -32.295 -99.200 -91.000 TRP 309 1.040 -16.264 2.677 -34.871 -99.200 -91.000 TRP6 309 1.020 -15.063 1.669 -36.635 -99.200 -91.000 TYR 315 0.840 -4.473 2.718 -19.108 -99.200 -91.000 TRP 340 1.040 -1.699 0.021 -24.190 -99.200 -91.000 TRP6 340 1.020 -2.431 2.211 -23.556 -99.200 -91.000 TYR 341 0.840 -8.854 -3.839 -21.952 -99.200 -91.000 PHE 351 1.000 -11.592 -8.030 -33.706 -99.200 -91.000 TRP 355 1.040 -8.044 -0.608 -40.295 -99.200 -91.000 TRP6 355 1.020 -7.543 0.407 -38.200 -99.200 -91.000 PHE 357 1.000 -20.290 1.167 -36.602 -99.200 -91.000 HIS 366 0.900 -16.513 -6.471 -27.874 -99.200 -91.000 PHE 369 1.000 -18.912 -5.014 -22.474 -99.200 -91.000 HIS 375 0.900 -9.912 -8.322 -11.324 -99.200 -91.000 PHE 376 1.000 -17.034 -10.017 -19.362 -99.200 -91.000 PHE 391 1.000 -27.175 3.538 -30.522 -99.200 -91.000 PHE 414 1.000 -8.973 3.944 -16.804 -99.200 -91.000 HIS 416 0.900 -12.239 6.636 -28.238 -99.200 -91.000 TRP 425 1.040 -35.072 15.636 -33.519 -99.200 -91.000 TRP6 425 1.020 -33.690 16.548 -31.802 -99.200 -91.000