============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 15 1.000 18.285 -6.182 17.133 -99.200 -91.000 TYR 16 0.840 19.649 -5.930 12.582 -99.200 -91.000 PHE 17 1.000 12.605 0.095 10.975 -99.200 -91.000 HIS 29 0.900 14.881 -18.574 13.869 -99.200 -91.000 PHE 32 1.000 21.485 -10.827 14.090 -99.200 -91.000 TYR 34 0.840 13.489 -13.770 12.216 -99.200 -91.000 PHE 43 1.000 8.918 -5.041 8.005 -99.200 -91.000 HIS 66 0.900 21.756 14.752 16.536 -99.200 -91.000 TYR 74 0.840 9.036 -7.418 16.979 -99.200 -91.000 PHE 84 1.000 10.669 7.077 11.045 -99.200 -91.000 PHE 89 1.000 6.927 7.764 7.372 -99.200 -91.000 PHE 109 1.000 10.189 20.079 25.422 -99.200 -91.000 PHE 116 1.000 6.583 22.457 15.224 -99.200 -91.000 HIS 127 0.900 5.858 6.595 12.070 -99.200 -91.000 TYR 132 0.840 11.659 9.075 20.642 -99.200 -91.000 TYR 158 0.840 7.193 19.061 30.919 -99.200 -91.000 PHE 170 1.000 15.525 -3.267 32.901 -99.200 -91.000 TYR 178 0.840 21.730 -18.734 31.681 -99.200 -91.000 HIS 194 0.900 13.200 -7.701 29.124 -99.200 -91.000 TYR 214 0.840 18.098 -15.775 34.714 -99.200 -91.000 TRP 217 1.040 23.670 -18.552 36.735 -99.200 -91.000 TRP6 217 1.020 23.618 -16.514 35.525 -99.200 -91.000 TYR 231 0.840 26.502 -4.389 40.800 -99.200 -91.000 PHE 235 1.000 18.313 -10.519 41.284 -99.200 -91.000 HIS 236 0.900 12.405 -4.343 35.028 -99.200 -91.000 TYR 240 0.840 8.518 -10.740 26.905 -99.200 -91.000 PHE 247 1.000 2.224 -20.489 38.965 -99.200 -91.000 TYR 257 0.840 6.956 -18.519 40.014 -99.200 -91.000 PHE 268 1.000 21.945 -9.307 45.093 -99.200 -91.000 HIS 269 0.900 12.621 -4.502 45.534 -99.200 -91.000 TRP 309 1.040 -3.619 -5.829 27.450 -99.200 -91.000 TRP6 309 1.020 -5.139 -5.675 25.654 -99.200 -91.000 PHE 318 1.000 -7.888 1.938 33.187 -99.200 -91.000 PHE 319 1.000 -2.433 -0.658 32.973 -99.200 -91.000 HIS 326 0.900 4.108 -3.133 43.668 -99.200 -91.000 TYR 347 0.840 -1.802 11.161 36.446 -99.200 -91.000 TYR 356 0.840 11.466 0.321 32.219 -99.200 -91.000