============================================================================= 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 9.712 10.383 29.988 -99.200 -91.000 HIS 20 0.900 3.994 14.970 38.702 -99.200 -91.000 PHE 29 1.000 5.333 1.417 36.083 -99.200 -91.000 TRP 31 1.040 15.551 2.334 30.413 -99.200 -91.000 TRP6 31 1.020 16.507 0.721 31.866 -99.200 -91.000 TYR 33 0.840 6.356 -4.279 27.672 -99.200 -91.000 HIS 36 0.900 10.350 -8.858 30.997 -99.200 -91.000 PHE 41 1.000 12.833 5.072 27.371 -99.200 -91.000 PHE 43 1.000 13.996 12.087 26.686 -99.200 -91.000 TYR 58 0.840 16.648 19.326 25.122 -99.200 -91.000 TRP 67 1.040 20.874 11.529 40.070 -99.200 -91.000 TRP6 67 1.020 18.923 11.081 41.286 -99.200 -91.000 TRP 72 1.040 17.929 9.346 25.133 -99.200 -91.000 TRP6 72 1.020 18.665 10.351 27.113 -99.200 -91.000 TYR 82 0.840 11.825 4.914 12.419 -99.200 -91.000 TYR 85 0.840 14.284 10.202 17.452 -99.200 -91.000 TYR 94 0.840 4.804 17.390 13.791 -99.200 -91.000 TYR 108 0.840 -13.994 18.195 7.862 -99.200 -91.000 HIS 109 0.900 -7.781 23.403 4.615 -99.200 -91.000 PHE 111 1.000 -12.753 27.554 5.178 -99.200 -91.000 HIS 121 0.900 -24.572 22.359 18.886 -99.200 -91.000 TYR 132 0.840 -16.871 21.285 13.625 -99.200 -91.000 PHE 135 1.000 -22.355 24.463 8.116 -99.200 -91.000 HIS 138 0.900 -21.916 17.146 5.944 -99.200 -91.000 TYR 147 0.840 -17.370 29.332 4.822 -99.200 -91.000 TRP 167 1.040 -7.672 1.086 24.231 -99.200 -91.000 TRP6 167 1.020 -9.081 2.937 24.576 -99.200 -91.000 PHE 177 1.000 -13.991 6.886 24.663 -99.200 -91.000 PHE 185 1.000 -9.189 14.249 16.124 -99.200 -91.000 TYR 196 0.840 -1.410 15.008 22.849 -99.200 -91.000 HIS 211 0.900 3.662 -3.280 22.902 -99.200 -91.000 HIS 229 0.900 -1.678 5.869 15.968 -99.200 -91.000 PHE 244 1.000 -3.214 3.877 22.157 -99.200 -91.000 HIS 246 0.900 -4.483 4.894 28.267 -99.200 -91.000 PHE 268 1.000 16.405 16.808 38.413 -99.200 -91.000 HIS 270 0.900 11.046 13.280 46.277 -99.200 -91.000 PHE 275 1.000 14.151 9.759 48.409 -99.200 -91.000 TYR 283 0.840 7.508 5.443 46.628 -99.200 -91.000 TRP 289 1.040 5.566 -4.506 37.911 -99.200 -91.000 TRP6 289 1.020 7.726 -4.708 38.776 -99.200 -91.000 HIS 295 0.900 10.829 -9.557 47.265 -99.200 -91.000 PHE 298 1.000 11.472 -3.652 42.914 -99.200 -91.000 PHE 307 1.000 7.013 -2.897 34.007 -99.200 -91.000 PHE 319 1.000 6.167 10.386 46.198 -99.200 -91.000 HIS 331 0.900 17.582 0.140 46.626 -99.200 -91.000 PHE 340 1.000 27.088 6.249 52.902 -99.200 -91.000 HIS 347 0.900 23.245 15.376 49.295 -99.200 -91.000 HIS 351 0.900 23.322 19.166 47.962 -99.200 -91.000 HIS 353 0.900 24.409 21.333 54.983 -99.200 -91.000 HIS 354 0.900 34.849 20.100 53.596 -99.200 -91.000 PHE 362 1.000 32.906 12.367 54.369 -99.200 -91.000 TRP 380 1.040 24.589 20.239 58.321 -99.200 -91.000 TRP6 380 1.020 26.822 20.989 58.256 -99.200 -91.000 PHE 385 1.000 30.471 14.484 66.105 -99.200 -91.000 PHE 386 1.000 33.612 13.797 63.363 -99.200 -91.000 TYR 391 0.840 31.023 21.045 70.909 -99.200 -91.000 TRP 423 1.040 42.781 10.897 69.996 -99.200 -91.000 TRP6 423 1.020 42.384 11.335 72.277 -99.200 -91.000 PHE 448 1.000 31.871 4.297 78.544 -99.200 -91.000 PHE 465 1.000 34.600 4.009 73.881 -99.200 -91.000