============================================================================= 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. HIS 4 0.900 -60.143 39.968 -2.940 -99.200 -91.000 HIS 12 0.900 -56.449 30.409 -4.151 -99.200 -91.000 PHE 16 1.000 -44.616 32.139 -12.317 -99.200 -91.000 PHE 21 1.000 -52.900 44.100 -23.254 -99.200 -91.000 HIS 30 0.900 -50.603 35.340 -21.383 -99.200 -91.000 HIS 36 0.900 -40.192 38.072 -7.611 -99.200 -91.000 PHE 42 1.000 -48.835 45.252 -10.360 -99.200 -91.000 PHE 43 1.000 -52.717 46.001 -6.904 -99.200 -91.000 PHE 49 1.000 -48.291 47.428 -22.804 -99.200 -91.000 TRP 57 1.040 -53.952 49.256 -29.216 -99.200 -91.000 TRP6 57 1.020 -53.733 48.208 -27.113 -99.200 -91.000 PHE 79 1.000 -58.783 26.680 -18.388 -99.200 -91.000 PHE 80 1.000 -52.084 30.285 -17.392 -99.200 -91.000 TYR 100 0.840 -53.774 54.038 -26.809 -99.200 -91.000 TYR 114 0.840 -72.767 60.510 -23.556 -99.200 -91.000 PHE 126 1.000 -74.703 46.060 -23.441 -99.200 -91.000 PHE 132 1.000 -69.257 27.157 -27.083 -99.200 -91.000 PHE 133 1.000 -70.761 25.641 -35.318 -99.200 -91.000 PHE 135 1.000 -65.974 23.106 -35.784 -99.200 -91.000 PHE 140 1.000 -56.880 27.964 -40.783 -99.200 -91.000 HIS 148 0.900 -56.177 23.706 -47.334 -99.200 -91.000 TRP 158 1.040 -68.192 15.747 -41.909 -99.200 -91.000 TRP6 158 1.020 -68.934 17.788 -40.985 -99.200 -91.000 TYR 164 0.840 -65.152 7.885 -36.714 -99.200 -91.000 HIS 171 0.900 -76.992 6.234 -31.816 -99.200 -91.000 TYR 179 0.840 -82.639 24.131 -29.744 -99.200 -91.000 PHE 180 1.000 -82.759 22.457 -26.146 -99.200 -91.000 HIS 209 0.900 -74.825 22.224 -20.059 -99.200 -91.000 HIS 210 0.900 -78.845 25.831 -25.544 -99.200 -91.000 HIS 211 0.900 -75.317 20.033 -30.099 -99.200 -91.000 PHE 225 1.000 -78.772 40.972 -14.993 -99.200 -91.000 TYR 238 0.840 -69.392 31.968 -22.977 -99.200 -91.000 TYR 240 0.840 -57.928 31.536 -20.359 -99.200 -91.000 HIS 243 0.900 -61.196 30.372 -27.977 -99.200 -91.000 HIS 247 0.900 -55.271 22.757 -26.141 -99.200 -91.000 PHE 249 1.000 -63.406 17.931 -21.137 -99.200 -91.000 PHE 255 1.000 -66.298 31.547 -28.229 -99.200 -91.000 PHE 261 1.000 -74.111 27.183 -48.254 -99.200 -91.000 HIS 269 0.900 -79.358 35.578 -30.704 -99.200 -91.000 HIS 271 0.900 -81.886 38.624 -23.971 -99.200 -91.000 PHE 282 1.000 -84.319 49.834 -22.036 -99.200 -91.000 TYR 287 0.840 -95.077 45.256 -29.622 -99.200 -91.000 TYR 296 0.840 -88.503 58.383 -27.710 -99.200 -91.000 TYR 297 0.840 -80.597 51.191 -25.635 -99.200 -91.000 HIS 304 0.900 -77.086 56.252 -34.644 -99.200 -91.000 TYR 319 0.840 -70.986 41.918 -42.542 -99.200 -91.000 TYR 326 0.840 -78.928 29.130 -43.412 -99.200 -91.000 TYR 334 0.840 -90.615 48.061 -32.308 -99.200 -91.000 PHE 360 1.000 -77.457 44.385 -35.059 -99.200 -91.000 TYR 368 0.840 -63.774 45.029 -22.819 -99.200 -91.000 PHE 371 1.000 -71.130 43.634 -24.622 -99.200 -91.000 HIS 387 0.900 -92.477 55.993 -32.370 -99.200 -91.000 TYR 397 0.840 -85.467 34.134 -41.835 -99.200 -91.000 PHE 427 1.000 -73.759 55.860 -33.127 -99.200 -91.000 PHE 434 1.000