============================================================================= 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 3 0.900 2.801 -20.949 -94.399 -99.200 -91.000 TYR 4 0.840 6.303 -19.669 -86.030 -99.200 -91.000 TRP 16 1.040 21.532 -24.834 -73.037 -99.200 -91.000 TRP6 16 1.020 19.979 -24.878 -74.802 -99.200 -91.000 PHE 34 1.000 -3.140 -11.557 -62.099 -99.200 -91.000 PHE 40 1.000 3.053 -22.327 -71.665 -99.200 -91.000 PHE 51 1.000 1.028 -17.441 -73.880 -99.200 -91.000 PHE 52 1.000 1.007 -14.893 -66.458 -99.200 -91.000 HIS 63 0.900 -9.079 -12.337 -51.560 -99.200 -91.000 PHE 74 1.000 -12.057 -18.952 -56.985 -99.200 -91.000 PHE 93 1.000 -9.099 -14.380 -69.362 -99.200 -91.000 TRP 98 1.040 -8.668 -26.691 -63.689 -99.200 -91.000 TRP6 98 1.020 -8.101 -28.705 -64.806 -99.200 -91.000 TRP 109 1.040 -0.066 -14.829 -79.879 -99.200 -91.000 TRP6 109 1.020 2.058 -15.691 -79.319 -99.200 -91.000 TYR 127 0.840 -5.636 -18.807 -84.991 -99.200 -91.000 TRP 138 1.040 -10.020 -40.050 -73.380 -99.200 -91.000 TRP6 138 1.020 -8.425 -38.338 -73.706 -99.200 -91.000 PHE 156 1.000 -3.236 -28.651 -91.068 -99.200 -91.000 TYR 158 0.840 0.866 -31.241 -85.877 -99.200 -91.000 PHE 171 1.000 -6.890 -44.937 -70.337 -99.200 -91.000 TYR 172 0.840 -0.854 -41.745 -71.706 -99.200 -91.000 PHE 193 1.000 6.007 -46.118 -73.218 -99.200 -91.000 HIS 194 0.900 1.501 -41.072 -65.026 -99.200 -91.000 PHE 195 1.000 4.494 -40.707 -73.462 -99.200 -91.000 TYR 201 0.840 12.499 -31.011 -79.574 -99.200 -91.000 TRP 215 1.040 2.283 -46.209 -62.969 -99.200 -91.000 TRP6 215 1.020 2.022 -47.534 -64.897 -99.200 -91.000 TRP 222 1.040 11.520 -41.422 -76.713 -99.200 -91.000 TRP6 222 1.020 11.133 -41.892 -78.989 -99.200 -91.000 PHE 225 1.000 2.973 -35.419 -82.249 -99.200 -91.000 TYR 231 0.840 1.337 -43.928 -81.743 -99.200 -91.000 TYR 235 0.840 9.498 -44.370 -70.531 -99.200 -91.000 PHE 241 1.000 18.491 -42.990 -64.383 -99.200 -91.000 TYR 264 0.840 5.588 -35.925 -57.367 -99.200 -91.000 PHE 269 1.000 14.863 -28.336 -71.106 -99.200 -91.000 PHE 271 1.000 15.620 -28.210 -76.265 -99.200 -91.000 TYR 273 0.840 20.652 -30.085 -80.834 -99.200 -91.000 TRP 278 1.040 22.608 -29.576 -75.844 -99.200 -91.000 TRP6 278 1.020 23.999 -28.558 -74.234 -99.200 -91.000 PHE 291 1.000 16.644 -27.126 -65.125 -99.200 -91.000 TRP 295 1.040 27.123 -32.080 -75.119 -99.200 -91.000 TRP6 295 1.020 25.592 -32.632 -76.830 -99.200 -91.000 TRP 300 1.040 16.842 -39.879 -79.074 -99.200 -91.000 TRP6 300 1.020 15.371 -38.638 -77.696 -99.200 -91.000 TRP 319 1.040 13.115 -23.363 -52.303 -99.200 -91.000 TRP6 319 1.020 13.626 -25.543 -51.570 -99.200 -91.000 TYR 322 0.840 5.435 -28.161 -63.401 -99.200 -91.000 PHE 326 1.000 11.281 -20.413 -75.266 -99.200 -91.000 PHE 342 1.000 17.390 -23.950 -70.564 -99.200 -91.000 TRP 343 1.040 9.556 -22.477 -70.134 -99.200 -91.000 TRP6 343 1.020 8.647 -23.470 -68.193 -99.200 -91.000 TRP 357 1.040 3.384 -16.643 -50.026 -99.200 -91.000 TRP6 357 1.020 5.096 -16.746 -51.646 -99.200 -91.000 PHE 365 1.000 19.454 -19.462 -68.471 -99.200 -91.000 TRP 375 1.040 26.710 -16.635 -61.438 -99.200 -91.000 TRP6 375 1.020 25.825 -14.467 -61.802 -99.200 -91.000 TRP 377 1.040 21.604 -15.694 -64.278 -99.200 -91.000 TRP6 377 1.020 22.932 -17.365 -65.308 -99.200 -91.000 PHE 385 1.000 7.116 -12.107 -50.491 -99.200 -91.000