============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. PHE 3 1.000 11.115 -7.006 57.851 -99.200 -91.000 TYR 4 0.840 15.083 -0.467 62.062 -99.200 -91.000 PHE 25 1.000 19.024 8.248 35.433 -99.200 -91.000 PHE 58 1.000 10.549 14.603 46.571 -99.200 -91.000 TYR 76 0.840 22.690 15.762 34.481 -99.200 -91.000 PHE 83 1.000 25.691 20.261 42.455 -99.200 -91.000 TYR 87 0.840 31.225 22.966 41.803 -99.200 -91.000 PHE 116 1.000 35.828 -1.087 38.320 -99.200 -91.000 TYR 117 0.840 43.411 -1.729 35.467 -99.200 -91.000 TYR 122 0.840 43.287 6.306 27.705 -99.200 -91.000 TYR 135 0.840 35.130 26.402 41.794 -99.200 -91.000 PHE 153 1.000 44.658 -4.913 31.866 -99.200 -91.000 HIS 157 0.900 46.193 3.606 25.706 -99.200 -91.000 PHE 158 1.000 40.646 -1.700 29.027 -99.200 -91.000 PHE 168 1.000 24.217 3.808 58.633 -99.200 -91.000 TRP 174 1.040 6.726 -2.534 43.541 -99.200 -91.000 TRP6 174 1.020 6.617 -4.077 41.759 -99.200 -91.000 PHE 184 1.000 15.804 -2.929 44.068 -99.200 -91.000 PHE 191 1.000 23.895 4.493 39.791 -99.200 -91.000 PHE 215 1.000 9.180 -10.284 46.719 -99.200 -91.000 HIS 221 0.900 13.618 -7.439 40.987 -99.200 -91.000 TYR 226 0.840 23.689 -8.786 48.551 -99.200 -91.000 HIS 228 0.900 23.219 -4.978 56.050 -99.200 -91.000 TYR 236 0.840 7.325 5.259 49.203 -99.200 -91.000 PHE 256 1.000 17.594 4.831 14.947 -99.200 -91.000 TYR 261 0.840 19.543 -5.755 21.036 -99.200 -91.000 PHE 275 1.000 11.509 11.693 11.393 -99.200 -91.000 HIS 283 0.900 14.921 -5.107 20.153 -99.200 -91.000 TYR 296 0.840 9.045 11.575 24.846 -99.200 -91.000 TYR 322 0.840 11.496 -1.764 33.437 -99.200 -91.000 PHE 323 1.000 18.972 -3.337 31.637 -99.200 -91.000 PHE 329 1.000 26.059 3.299 32.742 -99.200 -91.000 HIS 336 0.900 27.222 -7.425 25.918 -99.200 -91.000 TYR 350 0.840 43.877 11.039 13.429 -99.200 -91.000 TRP 356 1.040 32.687 15.532 29.801 -99.200 -91.000 TRP6 356 1.020 33.044 16.258 32.029 -99.200 -91.000 HIS 386 0.900 30.357 20.556 9.183 -99.200 -91.000 HIS 393 0.900 36.984 25.269 11.455 -99.200 -91.000 PHE 419 1.000 33.228 15.193 7.752 -99.200 -91.000 TRP 433 1.040 21.958 20.414 2.429 -99.200 -91.000 TRP6 433 1.020 20.063 19.025 2.484 -99.200 -91.000 PHE 449 1.000 36.723 17.098 4.143 -99.200 -91.000