============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. HIS 7 0.900 -39.163 20.566 2.739 -99.200 -91.000 TYR 8 0.840 -42.179 14.249 0.345 -99.200 -91.000 TYR 10 0.840 -35.454 22.134 -5.251 -99.200 -91.000 HIS 19 0.900 -45.983 8.980 -7.936 -99.200 -91.000 PHE 30 1.000 -58.804 11.277 2.279 -99.200 -91.000 TYR 37 0.840 -64.791 13.443 4.500 -99.200 -91.000 HIS 40 0.900 -73.666 18.398 1.097 -99.200 -91.000 PHE 46 1.000 -84.091 3.554 -4.961 -99.200 -91.000 TRP 55 1.040 -69.468 7.796 -5.516 -99.200 -91.000 TRP6 55 1.020 -70.037 10.041 -5.045 -99.200 -91.000 HIS 56 0.900 -71.521 10.836 -14.426 -99.200 -91.000 HIS 59 0.900 -72.416 16.259 -12.010 -99.200 -91.000 TRP 75 1.040 -80.286 12.814 -5.373 -99.200 -91.000 TRP6 75 1.020 -79.451 12.486 -3.187 -99.200 -91.000 TYR 77 0.840 -73.865 14.810 -3.536 -99.200 -91.000 PHE 85 1.000 -87.498 5.523 -10.160 -99.200 -91.000 PHE 100 1.000 -72.864 5.815 -13.959 -99.200 -91.000 PHE 103 1.000 -65.511 3.606 -25.140 -99.200 -91.000 PHE 109 1.000 -71.960 -2.026 -20.070 -99.200 -91.000 PHE 122 1.000 -78.846 6.568 -15.751 -99.200 -91.000 PHE 130 1.000 -74.230 -6.879 -22.917 -99.200 -91.000 TRP 136 1.040 -88.919 -17.158 -9.787 -99.200 -91.000 TRP6 136 1.020 -87.815 -15.184 -9.093 -99.200 -91.000 TYR 138 0.840 -80.270 -19.725 -15.163 -99.200 -91.000 TRP 139 1.040 -80.688 -14.753 -8.339 -99.200 -91.000 TRP6 139 1.020 -81.836 -16.489 -7.216 -99.200 -91.000 TYR 140 0.840 -77.120 -14.378 -15.789 -99.200 -91.000 HIS 169 0.900 -68.317 -12.841 -29.405 -99.200 -91.000 PHE 172 1.000 -65.275 -20.103 -19.269 -99.200 -91.000 HIS 177 0.900 -66.108 -19.391 -7.383 -99.200 -91.000 HIS 183 0.900 -67.067 -7.754 -7.590 -99.200 -91.000 PHE 186 1.000 -63.624 -8.339 -17.555 -99.200 -91.000 TRP 192 1.040 -53.054 -11.476 -18.886 -99.200 -91.000 TRP6 192 1.020 -52.288 -12.601 -16.946 -99.200 -91.000 TRP 206 1.040 -61.301 -17.408 -12.217 -99.200 -91.000 TRP6 206 1.020 -61.604 -19.752 -12.296 -99.200 -91.000 TYR 217 0.840 -58.344 -23.345 -8.805 -99.200 -91.000 HIS 223 0.900 -61.655 -15.467 1.517 -99.200 -91.000 TYR 231 0.840 -65.490 -4.275 -4.459 -99.200 -91.000 PHE 232 1.000 -57.673 -7.488 -9.185 -99.200 -91.000 TYR 252 0.840 -55.969 -13.159 0.063 -99.200 -91.000 TYR 255 0.840 -46.189 -9.121 -1.499 -99.200 -91.000 TRP 257 1.040 -51.977 -12.877 -7.077 -99.200 -91.000 TRP6 257 1.020 -53.146 -10.930 -6.410 -99.200 -91.000 HIS 266 0.900 -65.926 -4.164 9.841 -99.200 -91.000 HIS 268 0.900 -67.385 -8.138 7.603 -99.200 -91.000 PHE 271 1.000 -81.686 -10.344 9.231 -99.200 -91.000 HIS 273 0.900 -85.851 -10.571 5.397 -99.200 -91.000 TRP 281 1.040 -59.290 -1.741 -2.800 -99.200 -91.000 TRP6 281 1.020 -57.432 -1.994 -1.358 -99.200 -91.000 HIS 282 0.900 -59.497 7.985 -0.964 -99.200 -91.000 TYR 285 0.840 -54.580 9.657 -0.309 -99.200 -91.000 TYR 293 0.840 -75.733 -7.046 11.857 -99.200 -91.000 TYR 309 0.840 -60.805 -1.320 9.933 -99.200 -91.000 HIS 318 0.900 -63.044 9.726 11.525 -99.200 -91.000 PHE 334 1.000 -63.697 7.369 1.070 -99.200 -91.000 PHE 347 1.000 -87.098 0.607 2.748 -99.200 -91.000 TRP 352 1.040 -71.384 9.516 5.237 -99.200 -91.000 TRP6 352 1.020 -71.912 9.808 7.521 -99.200 -91.000