============================================================================= 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. PHE 4 1.000 54.088 -5.710 43.342 -99.200 -91.000 PHE 11 1.000 47.508 -7.055 42.895 -99.200 -91.000 PHE 17 1.000 52.102 -14.831 28.154 -99.200 -91.000 TYR 29 0.840 48.365 14.725 10.037 -99.200 -91.000 HIS 46 0.900 43.986 27.400 4.819 -99.200 -91.000 TYR 56 0.840 58.255 22.897 -7.205 -99.200 -91.000 TYR 70 0.840 74.511 8.296 -8.886 -99.200 -91.000 PHE 80 1.000 79.680 8.002 0.303 -99.200 -91.000 TYR 81 0.840 75.655 13.591 -3.678 -99.200 -91.000 TYR 85 0.840 67.991 11.202 -6.726 -99.200 -91.000 HIS 91 0.900 65.966 15.547 3.245 -99.200 -91.000 PHE 105 1.000 72.995 17.261 17.999 -99.200 -91.000 TYR 108 0.840 73.455 8.259 5.890 -99.200 -91.000 TYR 116 0.840 62.648 26.100 4.799 -99.200 -91.000 TYR 119 0.840 76.170 24.602 4.100 -99.200 -91.000 PHE 124 1.000 74.033 21.962 0.638 -99.200 -91.000 TYR 129 0.840 84.267 18.682 -6.561 -99.200 -91.000 HIS 144 0.900 80.040 11.826 6.187 -99.200 -91.000 TYR 145 0.840 76.603 18.260 2.725 -99.200 -91.000 HIS 151 0.900 72.027 28.243 15.384 -99.200 -91.000 PHE 152 1.000 72.563 19.737 9.075 -99.200 -91.000 TYR 171 0.840 69.282 18.283 31.946 -99.200 -91.000 TYR 185 0.840 65.763 16.026 10.648 -99.200 -91.000 PHE 186 1.000 65.860 8.374 14.983 -99.200 -91.000 HIS 197 0.900 66.763 0.823 25.514 -99.200 -91.000 PHE 200 1.000 63.988 6.729 20.266 -99.200 -91.000 PHE 202 1.000 70.725 8.512 29.488 -99.200 -91.000 PHE 212 1.000 64.422 11.344 20.798 -99.200 -91.000 PHE 213 1.000 61.095 13.909 10.543 -99.200 -91.000 TYR 219 0.840 64.317 -1.891 0.623 -99.200 -91.000 TYR 229 0.840 60.793 -2.132 11.821 -99.200 -91.000 TYR 241 0.840 62.421 3.713 24.594 -99.200 -91.000 PHE 254 1.000 51.138 21.933 2.076 -99.200 -91.000 TYR 257 0.840 54.520 23.999 8.670 -99.200 -91.000 PHE 274 1.000 55.483 16.114 21.675 -99.200 -91.000 TYR 281 0.840 60.867 2.378 -2.131 -99.200 -91.000 HIS 285 0.900 71.475 2.780 -7.572 -99.200 -91.000 HIS 286 0.900 73.365 3.346 2.119 -99.200 -91.000 TYR 295 0.840 69.472 -3.318 -2.025 -99.200 -91.000 TYR 298 0.840 53.277 2.918 -5.727 -99.200 -91.000 TRP 299 1.040 57.366 3.500 -3.141 -99.200 -91.000 TRP6 299 1.020 55.921 4.458 -1.531 -99.200 -91.000 HIS 304 0.900 59.697 12.474 -6.126 -99.200 -91.000 HIS 311 0.900 50.189 16.711 -9.772 -99.200 -91.000 TYR 312 0.840 48.797 23.452 -1.872 -99.200 -91.000 TRP 318 1.040 49.647 30.370 -4.921 -99.200 -91.000 TRP6 318 1.020 49.881 29.559 -2.698 -99.200 -91.000 TRP 319 1.040 55.872 25.857 -10.611 -99.200 -91.000 TRP6 319 1.020 57.520 27.478 -10.053 -99.200 -91.000 TRP 327 1.040 63.095 26.127 -9.648 -99.200 -91.000 TRP6 327 1.020 64.728 27.386 -8.492 -99.200 -91.000 PHE 339 1.000 80.660 19.812 -11.179 -99.200 -91.000 PHE 354 1.000 100.522 16.660 10.787 -99.200 -91.000 TYR 358 0.840 94.635 16.071 21.932 -99.200 -91.000 HIS 375 0.90