============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 17 0.840 -7.014 31.100 10.897 -99.200 -91.000 PHE 21 1.000 -17.586 31.561 1.802 -99.200 -91.000 HIS 26 0.900 -20.812 47.825 5.548 -99.200 -91.000 PHE 35 1.000 -16.662 35.564 13.175 -99.200 -91.000 TRP 41 1.040 -26.958 35.336 12.749 -99.200 -91.000 TRP6 41 1.020 -27.676 34.814 10.555 -99.200 -91.000 TRP 54 1.040 -21.715 40.949 6.462 -99.200 -91.000 TRP6 54 1.020 -21.750 41.509 4.154 -99.200 -91.000 TYR 57 0.840 -20.748 28.556 11.193 -99.200 -91.000 PHE 61 1.000 -27.185 41.953 2.671 -99.200 -91.000 HIS 68 0.900 -25.817 55.094 15.034 -99.200 -91.000 TRP 77 1.040 -22.720 40.209 17.298 -99.200 -91.000 TRP6 77 1.020 -24.734 39.638 16.201 -99.200 -91.000 TRP 96 1.040 -28.611 49.205 15.884 -99.200 -91.000 TRP6 96 1.020 -29.810 50.620 14.406 -99.200 -91.000 HIS 110 0.900 -20.063 59.010 25.424 -99.200 -91.000 TYR 113 0.840 -16.312 62.944 15.683 -99.200 -91.000 PHE 115 1.000 -12.221 55.345 18.031 -99.200 -91.000 PHE 119 1.000 -25.384 44.734 24.255 -99.200 -91.000 PHE 131 1.000 -12.281 61.325 18.330 -99.200 -91.000 TRP 138 1.040 -24.266 54.290 27.614 -99.200 -91.000 TRP6 138 1.020 -25.376 56.343 27.221 -99.200 -91.000 HIS 152 0.900 -8.593 56.778 29.344 -99.200 -91.000 HIS 160 0.900 -13.296 42.870 26.579 -99.200 -91.000 PHE 161 1.000 -19.083 46.004 31.025 -99.200 -91.000 TYR 173 0.840 -6.192 58.199 19.747 -99.200 -91.000 TRP 180 1.040 -12.155 52.894 34.283 -99.200 -91.000 TRP6 180 1.020 -12.018 54.989 35.373 -99.200 -91.000 PHE 201 1.000 -8.794 46.060 20.953 -99.200 -91.000 PHE 204 1.000 -10.480 43.108 31.836 -99.200 -91.000 TYR 210 0.840 -2.810 36.124 31.504 -99.200 -91.000 TRP 223 1.040 0.048 45.925 29.927 -99.200 -91.000 TRP6 223 1.020 1.522 47.019 31.421 -99.200 -91.000 TYR 225 0.840 -6.575 42.445 36.203 -99.200 -91.000 TYR 234 0.840 2.069 38.786 21.748 -99.200 -91.000 HIS 237 0.900 1.613 44.965 15.090 -99.200 -91.000 TYR 242 0.840 -5.898 54.456 9.935 -99.200 -91.000 PHE 245 1.000 -12.395 46.920 16.818 -99.200 -91.000 PHE 248 1.000 -6.089 37.686 24.867 -99.200 -91.000 TRP 255 1.040 -3.442 30.561 16.515 -99.200 -91.000 TRP6 255 1.020 -1.411 29.332 16.571 -99.200 -91.000 TYR 266 0.840 1.767 41.460 10.483 -99.200 -91.000 TRP 268 1.040 2.814 38.616 16.508 -99.200 -91.000 TRP6 268 1.020 1.074 40.125 15.932 -99.200 -91.000 HIS 282 0.900 -9.173 42.685 4.004 -99.200 -91.000 HIS 292 0.900 -17.564 30.723 14.670 -99.200 -91.000 TRP 312 1.040 -8.965 36.004 6.258 -99.200 -91.000 TRP6 312 1.020 -7.456 36.200 4.443 -99.200 -91.000