============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. PHE 21 1.000 -68.688 -67.012 5.718 -99.200 -91.000 HIS 32 0.900 -59.886 -57.202 11.929 -99.200 -91.000 PHE 56 1.000 -75.189 -76.635 16.881 -99.200 -91.000 TYR 66 0.840 -63.391 -66.301 -3.375 -99.200 -91.000 TYR 84 0.840 -77.346 -67.927 -12.084 -99.200 -91.000 TYR 89 0.840 -72.704 -51.234 -5.306 -99.200 -91.000 TRP 104 1.040 -70.484 -70.904 -11.222 -99.200 -91.000 TRP6 104 1.020 -70.854 -73.051 -10.313 -99.200 -91.000 PHE 119 1.000 -79.164 -62.274 -9.924 -99.200 -91.000 TYR 122 0.840 -76.898 -54.114 -4.554 -99.200 -91.000 TYR 123 0.840 -86.659 -52.783 -8.975 -99.200 -91.000 TYR 138 0.840 -79.412 -60.748 -15.747 -99.200 -91.000 PHE 153 1.000 -85.206 -66.306 -8.955 -99.200 -91.000 TYR 154 0.840 -84.949 -69.716 -0.928 -99.200 -91.000 TYR 160 0.840 -79.835 -48.768 -6.030 -99.200 -91.000 PHE 172 1.000 -82.523 -46.460 1.873 -99.200 -91.000 HIS 178 0.900 -92.261 -45.580 -2.386 -99.200 -91.000 PHE 186 1.000 -88.198 -57.495 -9.274 -99.200 -91.000 PHE 191 1.000 -90.941 -59.765 -12.673 -99.200 -91.000 PHE 205 1.000 -82.137 -43.316 12.146 -99.200 -91.000 PHE 209 1.000 -87.202 -51.872 19.263 -99.200 -91.000 PHE 216 1.000 -89.538 -44.248 10.703 -99.200 -91.000 PHE 225 1.000 -91.222 -54.931 11.163 -99.200 -91.000 TYR 236 0.840 -92.654 -61.655 4.527 -99.200 -91.000 TYR 238 0.840 -88.428 -59.862 8.338 -99.200 -91.000 PHE 248 1.000 -82.107 -60.943 12.007 -99.200 -91.000 PHE 254 1.000 -91.939 -53.126 16.735 -99.200 -91.000 PHE 262 1.000 -90.291 -63.480 11.160 -99.200 -91.000 TRP 272 1.040 -71.091 -65.469 9.132 -99.200 -91.000 TRP6 272 1.020 -69.776 -63.799 8.079 -99.200 -91.000 TYR 279 0.840 -58.805 -67.781 8.880 -99.200 -91.000 TRP 290 1.040 -65.616 -65.599 18.255 -99.200 -91.000 TRP6 290 1.020 -67.462 -65.602 16.767 -99.200 -91.000 PHE 296 1.000 -74.681 -73.943 20.804 -99.200 -91.000 TRP 313 1.040 -91.510 -73.182 3.824 -99.200 -91.000 TRP6 313 1.020 -92.378 -74.944 2.491 -99.200 -91.000