============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. PHE 19 1.000 -2.092 -22.666 23.672 -99.200 -91.000 TRP 25 1.040 -18.717 -14.570 13.765 -99.200 -91.000 TRP6 25 1.020 -16.724 -15.700 13.155 -99.200 -91.000 HIS 30 0.900 -19.643 -22.073 15.225 -99.200 -91.000 PHE 32 1.000 -12.441 -19.204 18.492 -99.200 -91.000 TRP 49 1.040 -2.453 -28.154 24.536 -99.200 -91.000 TRP6 49 1.020 -3.246 -29.416 22.696 -99.200 -91.000 PHE 50 1.000 1.725 -31.997 18.082 -99.200 -91.000 PHE 70 1.000 9.882 -34.565 11.370 -99.200 -91.000 TYR 73 0.840 0.921 -44.399 19.827 -99.200 -91.000 HIS 87 0.900 -0.635 -24.989 7.940 -99.200 -91.000 TYR 97 0.840 -12.817 -24.996 11.439 -99.200 -91.000 PHE 113 1.000 -3.413 -46.025 15.659 -99.200 -91.000 TYR 118 0.840 -4.884 -51.086 15.572 -99.200 -91.000 TYR 122 0.840 6.277 -52.526 9.746 -99.200 -91.000 TRP 129 1.040 5.465 -31.200 7.382 -99.200 -91.000 TRP6 129 1.020 7.564 -32.229 7.020 -99.200 -91.000 PHE 130 1.000 9.511 -21.908 10.596 -99.200 -91.000 PHE 137 1.000 9.646 -15.553 9.251 -99.200 -91.000 TRP 147 1.040 12.083 -34.145 5.997 -99.200 -91.000 TRP6 147 1.020 10.943 -35.358 4.308 -99.200 -91.000 HIS 149 0.900 18.332 -32.759 0.928 -99.200 -91.000 TYR 157 0.840 18.664 -21.936 10.475 -99.200 -91.000 TYR 171 0.840 20.065 -18.894 14.294 -99.200 -91.000 TYR 179 0.840 9.198 -25.518 19.775 -99.200 -91.000 TYR 187 0.840 15.440 -36.723 0.534 -99.200 -91.000 HIS 195 0.900 2.958 -35.606 4.830 -99.200 -91.000 PHE 196 1.000 -1.561 -42.330 3.954 -99.200 -91.000 HIS 199 0.900 -5.436 -27.775 4.431 -99.200 -91.000 TYR 222 0.840 2.202 -22.566 -4.889 -99.200 -91.000 TRP 224 1.040 3.515 -17.451 -3.931 -99.200 -91.000 TRP6 224 1.020 3.645 -17.646 -1.581 -99.200 -91.000 HIS 230 0.900 13.476 0.889 -8.916 -99.200 -91.000 HIS 235 0.900 3.862 19.889 -4.784 -99.200 -91.000 TRP 241 1.040 -1.892 15.150 -16.393 -99.200 -91.000 TRP6 241 1.020 -2.246 13.323 -14.935 -99.200 -91.000 HIS 265 0.900 -2.982 -17.880 -21.423 -99.200 -91.000 PHE 269 1.000 -1.705 -10.807 -10.545 -99.200 -91.000 TYR 279 0.840 2.176 5.505 3.633 -99.200 -91.000 PHE 290 1.000 3.248 -4.994 -8.788 -99.200 -91.000 PHE 294 1.000 0.877 -14.062 -12.931 -99.200 -91.000 HIS 296 0.900 -3.601 -23.472 -16.226 -99.200 -91.000 PHE 313 1.000 3.939 -7.230 -15.148 -99.200 -91.000 TYR 327 0.840 9.425 -5.146 -15.237 -99.200 -91.000 PHE 340 1.000 -0.766 -34.982 -3.220 -99.200 -91.000 HIS 341 0.900 3.495 -43.863 -4.997 -99.200 -91.000 PHE 353 1.000 -14.995 -44.751 -3.599 -99.200 -91.000 PHE 356 1.000 -17.869 -40.843 4.765 -99.200 -91.000 TRP 365 1.040 -7.483 -30.057 -10.288 -99.200 -91.000 TRP6 365 1.020 -7.061 -27.735 -10.077 -99.200 -91.000 HIS 370 0.900 -2.732 -28.270 0.997 -99.200 -91.000 HIS 378 0.900 12.753 -36.055 -1.673 -99.200 -91.000 PHE 385 1.000 -8.235 -30.682 -0.593 -99.200 -91.000 HIS 394 0.900 -4.901 -18.418 3.095 -99.200 -91.000 TYR 396 0.840 -10.359 -12.359 11.789 -99.200 -91.000 TYR 397 0.840 -17.127 -13.718 9.511 -99.200 -91.000 TYR 399 0.840 -19.039 -24.124 10.398 -99.200 -91.000 PHE 409 1.000 -10.206 -39.397 14.063 -99.200 -91.000 TYR 419 0.840 2.102 -46.921 3.703 -99.200 -91.000 TYR 422 0.840 1.735 -51.997 0.407 -99.200 -91.000 HIS 428 0.900 4.936 -61.184 6.820 -99.200 -91.000 PHE 430 1.000 8.657 -57.109 -2.653 -99.200 -91.000