============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 21.970 -31.409 -24.176 -99.200 -91.000 TRP6 14 1.020 20.330 -30.622 -22.652 -99.200 -91.000 PHE 19 1.000 41.071 -30.755 -28.971 -99.200 -91.000 TRP 37 1.040 27.980 -45.342 -19.526 -99.200 -91.000 TRP6 37 1.020 28.968 -46.866 -21.052 -99.200 -91.000 HIS 43 0.900 30.364 -39.917 -39.369 -99.200 -91.000 TYR 47 0.840 33.735 -43.292 -43.757 -99.200 -91.000 TRP 49 1.040 36.769 -39.995 -45.466 -99.200 -91.000 TRP6 49 1.020 35.247 -38.589 -44.317 -99.200 -91.000 PHE 53 1.000 40.619 -40.653 -34.508 -99.200 -91.000 HIS 65 0.900 29.420 -19.931 -25.823 -99.200 -91.000 TYR 70 0.840 41.740 -25.061 -20.079 -99.200 -91.000 TYR 84 0.840 31.754 -50.344 -24.526 -99.200 -91.000 HIS 86 0.900 24.305 -51.281 -33.590 -99.200 -91.000 TYR 89 0.840 29.930 -47.431 -38.574 -99.200 -91.000 TRP 91 1.040 32.967 -49.839 -42.234 -99.200 -91.000 TRP6 91 1.020 34.280 -50.034 -44.192 -99.200 -91.000 PHE 110 1.000 25.762 -34.979 -14.093 -99.200 -91.000 TYR 113 0.840 28.800 -22.625 -16.797 -99.200 -91.000 HIS 115 0.900 21.415 -31.646 -15.586 -99.200 -91.000 TYR 132 0.840 4.709 -32.628 -33.524 -99.200 -91.000 TRP 139 1.040 31.906 -25.766 -30.494 -99.200 -91.000 TRP6 139 1.020 31.441 -27.520 -28.955 -99.200 -91.000 TRP 146 1.040 35.669 -22.222 -45.727 -99.200 -91.000 TRP6 146 1.020 35.179 -24.454 -45.098 -99.200 -91.000 PHE 184 1.000 15.723 -37.938 -36.703 -99.200 -91.000 TYR 188 0.840 13.059 -24.412 -41.569 -99.200 -91.000 PHE 207 1.000 16.285 -33.170 -34.699 -99.200 -91.000 PHE 213 1.000 1.961 -33.700 -23.825 -99.200 -91.000 TRP 217 1.040 15.683 -28.898 -23.354 -99.200 -91.000 TRP6 217 1.020 15.456 -27.990 -25.522 -99.200 -91.000 TYR 218 0.840 12.453 -36.949 -22.978 -99.200 -91.000 TRP 225 1.040 23.453 -40.261 -43.866 -99.200 -91.000 TRP6 225 1.020 22.465 -39.804 -45.977 -99.200 -91.000 TYR 235 0.840 14.553 -32.290 -47.062 -99.200 -91.000 PHE 237 1.000 18.819 -38.290 -45.124 -99.200 -91.000 TYR 238 0.840 19.779 -34.646 -37.975 -99.200 -91.000 HIS 240 0.900 14.078 -43.398 -34.897 -99.200 -91.000 PHE 242 1.000 12.124 -46.147 -28.539 -99.200 -91.000 TRP 247 1.040 24.780 -51.651 -29.348 -99.200 -91.000 TRP6 247 1.020 25.827 -49.534 -29.247 -99.200 -91.000 PHE 255 1.000 30.822 -54.038 -21.455 -99.200 -91.000