============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. HIS 22 0.900 -51.852 11.246 65.820 -99.200 -91.000 PHE 24 1.000 -45.071 12.042 74.070 -99.200 -91.000 PHE 29 1.000 -42.338 15.985 66.230 -99.200 -91.000 PHE 46 1.000 -45.645 14.275 56.402 -99.200 -91.000 TYR 59 0.840 -42.898 5.820 74.750 -99.200 -91.000 TRP 71 1.040 -42.911 5.059 88.384 -99.200 -91.000 TRP6 71 1.020 -42.870 3.884 90.436 -99.200 -91.000 HIS 93 0.900 -49.733 21.857 102.257 -99.200 -91.000 TYR 95 0.840 -51.198 14.281 93.432 -99.200 -91.000 TYR 96 0.840 -54.896 20.806 91.911 -99.200 -91.000 PHE 99 1.000 -47.965 13.846 83.356 -99.200 -91.000 TYR 101 0.840 -45.051 18.187 74.871 -99.200 -91.000 HIS 103 0.900 -56.265 14.663 77.520 -99.200 -91.000 PHE 124 1.000 -41.736 20.633 93.133 -99.200 -91.000 TYR 127 0.840 -39.131 18.617 82.373 -99.200 -91.000 TYR 130 0.840 -35.810 27.375 82.920 -99.200 -91.000 TYR 143 0.840 -48.207 35.223 78.964 -99.200 -91.000 TYR 145 0.840 -56.214 28.135 81.485 -99.200 -91.000 TYR 146 0.840 -54.323 31.790 84.692 -99.200 -91.000 TRP 157 1.040 -51.062 30.785 89.299 -99.200 -91.000 TRP6 157 1.020 -50.481 28.532 88.867 -99.200 -91.000 TRP 163 1.040 -36.541 20.673 91.371 -99.200 -91.000 TRP6 163 1.020 -36.542 18.347 91.807 -99.200 -91.000 HIS 166 0.900 -33.826 19.240 98.136 -99.200 -91.000 HIS 167 0.900 -31.112 18.643 101.644 -99.200 -91.000 PHE 173 1.000 -30.284 11.952 90.218 -99.200 -91.000 HIS 176 0.900 -32.668 5.139 93.060 -99.200 -91.000 HIS 183 0.900 -27.979 -4.779 91.320 -99.200 -91.000 PHE 184 1.000 -21.663 -2.577 87.015 -99.200 -91.000 PHE 196 1.000 -23.052 11.035 87.068 -99.200 -91.000 HIS 199 0.900 -33.842 12.341 77.605 -99.200 -91.000 TYR 212 0.840 -30.726 19.641 79.996 -99.200 -91.000 TYR 229 0.840 -15.018 13.999 93.480 -99.200 -91.000 TYR 233 0.840 -17.418 12.842 86.966 -99.200 -91.000 TRP 237 1.040 -24.179 16.041 76.989 -99.200 -91.000 TRP6 237 1.020 -25.324 17.339 78.600 -99.200 -91.000 TRP 246 1.040 -29.719 17.188 68.144 -99.200 -91.000 TRP6 246 1.020 -31.497 17.172 69.705 -99.200 -91.000 PHE 273 1.000 -38.253 12.459 81.794 -99.200 -91.000 HIS 277 0.900 -35.152 8.261 80.598 -99.200 -91.000 TYR 282 0.840 -23.518 0.204 71.466 -99.200 -91.000 TYR 288 0.840 -26.089 -0.996 65.978 -99.200 -91.000 PHE 313 1.000 -38.003 12.566 93.134 -99.200 -91.000 HIS 322 0.900 -41.491 23.403 105.649 -99.200 -91.000 HIS 324 0.900 -41.894 28.521 95.987 -99.200 -91.000 PHE 353 1.000 -48.996 34.125 85.312 -99.200 -91.000 PHE 354 1.000 -44.901 31.618 87.075 -99.200 -91.000