============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 72 rings ring int. center anis. iso. TYR 5 0.840 -24.717 26.299 -11.361 -99.200 -91.000 PHE 16 1.000 -39.455 32.844 -14.960 -99.200 -91.000 HIS 21 0.900 -44.798 40.403 -6.086 -99.200 -91.000 TYR 23 0.840 -42.839 41.784 -17.109 -99.200 -91.000 HIS 25 0.900 -37.977 42.082 -12.998 -99.200 -91.000 HIS 28 0.900 -27.105 35.203 -9.412 -99.200 -91.000 PHE 54 1.000 -63.613 22.705 -1.682 -99.200 -91.000 PHE 56 1.000 -62.751 34.139 0.748 -99.200 -91.000 HIS 57 0.900 -65.416 32.213 -7.915 -99.200 -91.000 HIS 61 0.900 -53.440 31.982 -4.490 -99.200 -91.000 PHE 64 1.000 -43.410 27.676 -10.747 -99.200 -91.000 HIS 66 0.900 -45.788 32.316 -0.904 -99.200 -91.000 TYR 71 0.840 -35.916 35.238 -7.532 -99.200 -91.000 PHE 81 1.000 -31.912 45.582 2.992 -99.200 -91.000 TYR 85 0.840 -30.719 51.997 3.280 -99.200 -91.000 TRP 95 1.040 -27.268 43.408 0.759 -99.200 -91.000 TRP6 95 1.020 -28.101 41.382 1.657 -99.200 -91.000 HIS 110 0.900 -40.772 30.387 0.997 -99.200 -91.000 HIS 114 0.900 -46.010 24.409 3.006 -99.200 -91.000 TYR 117 0.840 -56.314 19.587 -0.487 -99.200 -91.000 HIS 119 0.900 -52.410 24.791 7.722 -99.200 -91.000 PHE 121 1.000 -50.219 13.975 3.382 -99.200 -91.000 HIS 123 0.900 -55.199 16.315 13.253 -99.200 -91.000 PHE 125 1.000 -51.987 10.507 5.857 -99.200 -91.000 HIS 129 0.900 -44.826 22.995 6.685 -99.200 -91.000 TYR 145 0.840 -26.734 17.467 -2.392 -99.200 -91.000 PHE 155 1.000 -25.185 28.264 -2.137 -99.200 -91.000 TYR 167 0.840 -25.779 32.297 6.111 -99.200 -91.000 TYR 187 0.840 -48.459 34.436 4.228 -99.200 -91.000 TYR 193 0.840 -54.144 40.040 -9.013 -99.200 -91.000 PHE 194 1.000 -53.779 34.643 -8.080 -99.200 -91.000 TYR 199 0.840 -62.151 44.034 2.570 -99.200 -91.000 PHE 202 1.000 -48.076 44.791 2.220 -99.200 -91.000 TYR 214 0.840 -30.851 46.003 13.453 -99.200 -91.000 PHE 220 1.000 -39.549 46.699 8.483 -99.200 -91.000 HIS 226 0.900 -48.087 57.046 10.679 -99.200 -91.000 TYR 231 0.840 -46.742 42.890 7.248 -99.200 -91.000 TYR 236 0.840 -57.771 42.413 13.064 -99.200 -91.000 TYR 239 0.840 -53.150 35.353 9.580 -99.200 -91.000 TYR 243 0.840 -54.630 34.103 5.286 -99.200 -91.000 PHE 244 1.000 -57.652 33.006 12.246 -99.200 -91.000 HIS 245 0.900 -65.766 32.122 5.187 -99.200 -91.000 HIS 257 0.900 -63.687 14.673 11.329 -99.200 -91.000 HIS 260 0.900 -58.767 9.144 12.322 -99.200 -91.000 PHE 266 1.000 -53.052 0.114 3.819 -99.200 -91.000 PHE 271 1.000 -62.650 -1.350 3.783 -99.200 -91.000 TYR 273 0.840 -63.550 -2.066 -2.296 -99.200 -91.000 PHE 283 1.000 -46.731 9.893 2.700 -99.200 -91.000 PHE 284 1.000 -53.983 5.038 3.410 -99.200 -91.000 PHE 288 1.000 -42.999 10.406 5.235 -99.200 -91.000 TYR 293 0.840 -44.031 15.307 1.517 -99.200 -91.000 TYR 304 0.840 -54.654 7.800 -4.773 -99.200 -91.000 PHE 305 1.000 -59.602 12.964 -0.952 -99.200 -91.000 TRP 308 1.040 -60.366 6.330 -1.417 -99.200 -91.000 TRP6 308 1.020 -59.232 7.756 0.092 -99.200 -91.000 PHE 323 1.000 -61.870 17.919 -0.090 -99.200 -91.000 PHE 334 1.000 -67.111 25.762 21.662 -99.200 -91.000 TYR 346 0.840 -79.067 16.437 25.030 -99.200 -91.000 PHE 356 1.000 -75.720 12.846 9.668 -99.200 -91.000 TYR 360 0.840 -64.864 8.317 11.404 -99.200 -91.000 TYR 361 0.840 -70.747 11.811 8.894 -99.200 -91.000 TYR 368 0.840 -54.340 29.202 9.915 -99.200 -91.000 PHE 407 1.000 -70.770 20.263 17.968 -99.200 -91.000 TYR 408 0.840 -66.612 23.830 11.656 -99.200 -91.000 PHE 409 1.000 -74.032 22.101 13.594 -99.200 -91.000 HIS 421 0.900 -98.775 13.939 9.660 -99.200 -91.000 TYR 422 0.840 -91.875 18.446 13.117 -99.200 -91.000 PHE 425 1.000 -84.543 9.114 13.213 -99.200 -91.000 TYR 429 0.840 -83.054 15.065 11.939 -99.200 -91.000 PHE 432 1.000 -77.646 19.719 16.424 -99.200 -91.000 TYR 435 0.840 -79.678 21.994 23.513 -99.200 -91.000 HIS 437 0.900 -81.301 33.254 18.887 -99.200 -91.000