============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 92 rings ring int. center anis. iso. HIS 2 0.900 -42.646 -4.620 50.770 -99.200 -91.000 TYR 4 0.840 -43.399 0.608 52.547 -99.200 -91.000 HIS 30 0.900 -61.888 -3.131 77.829 -99.200 -91.000 PHE 31 1.000 -55.123 -7.021 74.682 -99.200 -91.000 TYR 47 0.840 -37.235 -4.774 51.982 -99.200 -91.000 HIS 59 0.900 -34.369 -8.514 60.931 -99.200 -91.000 TYR 65 0.840 -50.569 1.158 67.037 -99.200 -91.000 TYR 67 0.840 -52.921 3.237 70.845 -99.200 -91.000 TYR 68 0.840 -51.999 -3.089 77.845 -99.200 -91.000 TYR 69 0.840 -58.248 2.403 78.993 -99.200 -91.000 PHE 74 1.000 -54.567 4.412 76.488 -99.200 -91.000 TYR 75 0.840 -50.579 -0.182 81.795 -99.200 -91.000 TYR 83 0.840 -35.757 -11.560 65.478 -99.200 -91.000 HIS 85 0.900 -37.640 -11.021 72.661 -99.200 -91.000 HIS 115 0.900 -78.714 3.328 85.129 -99.200 -91.000 HIS 130 0.900 -97.041 5.015 66.656 -99.200 -91.000 TRP 138 1.040 -72.271 11.407 68.863 -99.200 -91.000 TRP6 138 1.020 -71.217 13.232 67.713 -99.200 -91.000 TYR 154 0.840 -75.438 14.114 71.557 -99.200 -91.000 TYR 156 0.840 -80.631 10.998 67.843 -99.200 -91.000 HIS 162 0.900 -88.059 -1.332 57.801 -99.200 -91.000 HIS 167 0.900 -80.963 6.521 65.031 -99.200 -91.000 TYR 168 0.840 -78.749 9.233 63.005 -99.200 -91.000 PHE 174 1.000 -84.352 11.017 77.755 -99.200 -91.000 PHE 178 1.000 -74.973 5.123 81.118 -99.200 -91.000 PHE 185 1.000 -77.123 8.406 85.013 -99.200 -91.000 TYR 190 0.840 -82.951 16.665 82.108 -99.200 -91.000 TRP 205 1.040 -91.788 13.593 71.131 -99.200 -91.000 TRP6 205 1.020 -89.823 14.825 71.727 -99.200 -91.000 PHE 208 1.000 -94.720 9.900 69.082 -99.200 -91.000 PHE 210 1.000 -90.812 8.322 63.988 -99.200 -91.000 TYR 213 0.840 -82.165 5.795 55.968 -99.200 -91.000 HIS 214 0.900 -85.040 0.433 53.711 -99.200 -91.000 PHE 238 1.000 -56.286 -2.869 38.959 -99.200 -91.000 HIS 243 0.900 -51.189 -5.483 50.806 -99.200 -91.000 TRP 247 1.040 -53.745 2.075 35.614 -99.200 -91.000 TRP6 247 1.020 -53.814 4.467 35.690 -99.200 -91.000 TRP 250 1.040 -49.494 6.774 38.072 -99.200 -91.000 TRP6 250 1.020 -48.805 8.568 39.519 -99.200 -91.000 PHE 252 1.000 -50.234 3.366 43.282 -99.200 -91.000 PHE 253 1.000 -44.597 -1.351 47.910 -99.200 -91.000 PHE 262 1.000 -56.757 4.494 50.748 -99.200 -91.000 TYR 265 0.840 -46.774 3.006 53.517 -99.200 -91.000 HIS 268 0.900 -40.400 5.294 43.171 -99.200 -91.000 PHE 269 1.000 -46.684 9.114 35.514 -99.200 -91.000 TYR 276 0.840 -41.182 6.555 52.519 -99.200 -91.000 TYR 287 0.840 -71.715 18.593 64.560 -99.200 -91.000 PHE 294 1.000 -77.514 20.055 71.300 -99.200 -91.000 HIS 295 0.900 -70.461 22.590 75.465 -99.200 -91.000 PHE 300 1.000 -59.614 16.336 67.430 -99.200 -91.000 PHE 307 1.000 -62.232 8.112 57.542 -99.200 -91.000 TYR 326 0.840 -63.816 -5.617 46.041 -99.200 -91.000 HIS 348 0.900 -63.019 1.735 40.463 -99.200 -91.000 TYR 356 0.840 -53.246 14.277 24.225 -99.200 -91.000 HIS 358 0.900