============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. TYR 42 0.840 -4.373 -26.414 -73.520 -99.200 -91.000 TYR 54 0.840 9.158 -23.030 -79.828 -99.200 -91.000 PHE 60 1.000 11.317 -28.553 -82.265 -99.200 -91.000 TRP 81 1.040 16.735 -40.046 -84.239 -99.200 -91.000 TRP6 81 1.020 18.676 -41.389 -84.289 -99.200 -91.000 PHE 82 1.000 16.639 -30.600 -83.937 -99.200 -91.000 HIS 106 0.900 9.030 -33.258 -67.000 -99.200 -91.000 PHE 122 1.000 16.458 -45.216 -67.459 -99.200 -91.000 TYR 130 0.840 28.348 -43.947 -70.645 -99.200 -91.000 TYR 132 0.840 29.150 -37.165 -75.881 -99.200 -91.000 PHE 134 1.000 33.473 -29.210 -74.755 -99.200 -91.000 TYR 145 0.840 23.870 -37.277 -76.333 -99.200 -91.000 PHE 157 1.000 19.988 -41.486 -77.871 -99.200 -91.000 PHE 161 1.000 20.900 -51.825 -65.289 -99.200 -91.000 TYR 202 0.840 26.467 -31.787 -50.261 -99.200 -91.000 HIS 214 0.900 41.737 -18.885 -43.366 -99.200 -91.000 PHE 228 1.000 39.523 -14.233 -35.159 -99.200 -91.000 HIS 229 0.900 34.975 -8.261 -27.750 -99.200 -91.000 PHE 231 1.000 32.822 -2.160 -29.066 -99.200 -91.000 HIS 233 0.900 34.370 -9.175 -36.141 -99.200 -91.000 HIS 238 0.900 29.006 -5.511 -44.458 -99.200 -91.000 TRP 243 1.040 28.238 -18.325 -40.218 -99.200 -91.000 TRP6 243 1.020 30.089 -19.161 -41.431 -99.200 -91.000 HIS 265 0.900 45.191 -3.658 -27.115 -99.200 -91.000 TYR 267 0.840 54.663 -1.205 -26.679 -99.200 -91.000 HIS 270 0.900 63.023 -11.045 -32.645 -99.200 -91.000 TYR 277 0.840 46.001 -5.129 -43.098 -99.200 -91.000 TYR 285 0.840 39.953 -12.213 -48.404 -99.200 -91.000 TYR 321 0.840 -0.369 -18.230 -70.291 -99.200 -91.000 HIS 322 0.900 4.187 -19.795 -78.036 -99.200 -91.000 PHE 326 1.000 13.625 -20.707 -73.475 -99.200 -91.000 TYR 330 0.840 18.056 -15.552 -60.730 -99.200 -91.000 HIS 335 0.900 28.448 -13.066 -59.256 -99.200 -91.000 TYR 338 0.840 35.027 -12.340 -57.629 -99.200 -91.000 TYR 339 0.840 31.315 -15.186 -54.377 -99.200 -91.000 HIS 346 0.900 42.014 -15.293 -45.659 -99.200 -91.000 PHE 359 1.000 57.060 -11.782 -43.226 -99.200 -91.000 PHE 393 1.000 42.741 -19.123 -66.901 -99.200 -91.000 TYR 394 0.840 39.761 -23.491 -64.304 -99.200 -91.000 PHE 402 1.000 24.833 -12.544 -74.315 -99.200 -91.000 HIS 405 0.900 27.838 -15.954 -83.286 -99.200 -91.000 PHE 409 1.000 22.654 -14.079 -87.142 -99.200 -91.000 TYR 418 0.840 25.965 -28.749 -70.092 -99.200 -91.000 PHE 431 1.000 38.816 -23.993 -52.103 -99.200 -91.000 TYR 434 0.840 45.070 -23.760 -51.813 -99.200 -91.000 PHE 440 1.000 52.625 -25.820 -46.268 -99.200 -91.000 TYR 450 0.840 60.289 -29.888 -29.859 -99.200 -91.000 HIS 455 0.900 53.639 -33.003 -25.928 -99.200 -91.000 TYR 456 0.840 57.915 -32.649 -32.404 -99.200 -91.000 TYR 470 0.840 46.583 -32.736 -34.671 -99.200 -91.000 HIS 475 0.900 40.752 -42.923 -39.296 -99.200 -91.000 TYR 487 0.840 50.863 -34.737 -41.827 -99.200 -91.000 TRP 489 1.040 61.749 -37.339 -37.302 -99.200 -91.000 TRP6 489 1.020 62.028 -35.586 -35.738 -99.200 -91.000 HIS 499 0.900 50.674 -38.220 -45.869 -99.200 -91.000