============================================================================= 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. HIS 8 0.900 15.732 -12.154 28.825 -99.200 -91.000 TYR 23 0.840 25.627 6.294 40.003 -99.200 -91.000 PHE 27 1.000 24.348 1.994 48.896 -99.200 -91.000 TRP 30 1.040 25.294 -8.154 44.871 -99.200 -91.000 TRP6 30 1.020 25.624 -7.269 47.044 -99.200 -91.000 TYR 45 0.840 1.047 -9.883 47.244 -99.200 -91.000 PHE 50 1.000 -8.659 -13.295 62.609 -99.200 -91.000 PHE 70 1.000 -0.618 -20.739 47.406 -99.200 -91.000 HIS 78 0.900 9.374 -18.430 47.945 -99.200 -91.000 HIS 79 0.900 3.996 -21.623 50.112 -99.200 -91.000 HIS 83 0.900 -1.417 -10.876 62.489 -99.200 -91.000 HIS 84 0.900 -2.265 -6.281 57.077 -99.200 -91.000 TYR 90 0.840 -12.813 -5.741 60.323 -99.200 -91.000 TYR 98 0.840 6.219 -13.667 44.755 -99.200 -91.000 TRP 99 1.040 1.045 -20.071 40.142 -99.200 -91.000 TRP6 99 1.020 0.019 -18.850 41.893 -99.200 -91.000 HIS 106 0.900 -7.094 -19.610 32.856 -99.200 -91.000 TRP 108 1.040 -3.321 -23.463 42.179 -99.200 -91.000 TRP6 108 1.020 -4.207 -21.517 43.180 -99.200 -91.000 TRP 117 1.040 -11.844 -23.023 49.972 -99.200 -91.000 TRP6 117 1.020 -11.004 -20.823 50.216 -99.200 -91.000 TRP 118 1.040 -12.586 -16.706 44.543 -99.200 -91.000 TRP6 118 1.020 -11.778 -15.685 46.518 -99.200 -91.000 PHE 130 1.000 -12.791 -16.830 53.179 -99.200 -91.000 PHE 131 1.000 -7.161 -9.875 51.330 -99.200 -91.000 PHE 142 1.000 9.985 -9.199 37.739 -99.200 -91.000 TYR 146 0.840 16.527 -9.356 45.670 -99.200 -91.000 PHE 148 1.000 18.795 -10.196 50.745 -99.200 -91.000 HIS 169 0.900 23.268 0.373 44.017 -99.200 -91.000 TYR 171 0.840 20.842 6.584 39.754 -99.200 -91.000 TRP 172 1.040 16.446 10.534 46.015 -99.200 -91.000 TRP6 172 1.020 15.431 8.899 47.390 -99.200 -91.000 PHE 179 1.000 9.806 -0.925 37.321 -99.200 -91.000 TRP 186 1.040 7.654 8.687 28.542 -99.200 -91.000 TRP6 186 1.020 9.413 9.708 29.735 -99.200 -91.000 HIS 211 0.900 -4.844 3.105 37.392 -99.200 -91.000 TRP 223 1.040 13.994 -8.801 63.220 -99.200 -91.000 TRP6 223 1.020 12.071 -8.433 61.885 -99.200 -91.000 TYR 234 0.840 14.440 -3.681 61.314 -99.200 -91.000 PHE 248 1.000 2.147 10.495 54.880 -99.200 -91.000 TYR 259 0.840 -5.162 3.384 43.410 -99.200 -91.000 PHE 263 1.000 6.157 -2.711 58.788 -99.200 -91.000 PHE 273 1.000 3.382 -11.746 64.892 -99.200 -91.000 TYR 278 0.840 5.968 -9.350 52.594 -99.200 -91.000 HIS 282 0.900 -1.582 -3.663 45.992 -99.200 -91.000 TRP 283 1.040 2.573 3.213 46.312 -99.200 -91.000 TRP6 283 1.020 2.848 5.396 47.195 -99.200 -91.000 TRP 292 1.040 5.618 8.539 51.038 -99.200 -91.000 TRP6 292 1.020 6.950 6.722 51.759 -99.200 -91.000 HIS 296 0.900 6.202 11.389 54.551 -99.200 -91.000 HIS 299 0.900 12.392 5.886 51.236 -99.200 -91.000 PHE 303 1.000 18.781 8.203 50.648 -99.200 -91.000 PHE 306 1.000 21.123 1.363 54.569 -99.200 -91.000 PHE 307 1.000 24.049 6.370 52.736 -99.200 -91.000 TYR 319 0.840 12.816 -8.371 50.385 -99.200 -91.000 HIS 320 0.900 12.919 -1.535 46.023 -99.200 -91.000 PHE 325 1.000 1.081 -5.129 38.824 -99.200 -91.000 TYR 332 0.840 -6.090 -5.262 42.093 -99.200 -91.000 TYR 334 0.840 -10.674 -6.749 47.597 -99.200 -91.000 HIS 338 0.900 -11.808 -3.284 56.597 -99.200 -91.000