============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. TYR 11 0.840 7.257 -9.324 -47.634 -99.200 -91.000 TYR 16 0.840 7.622 9.023 -42.169 -99.200 -91.000 TYR 28 0.840 1.252 -12.269 -36.978 -99.200 -91.000 HIS 45 0.900 12.232 -0.358 -37.406 -99.200 -91.000 PHE 48 1.000 5.072 5.700 -30.439 -99.200 -91.000 TYR 50 0.840 -3.842 10.121 -34.135 -99.200 -91.000 PHE 54 1.000 -7.211 1.911 -28.611 -99.200 -91.000 TYR 66 0.840 -15.732 -14.202 -37.659 -99.200 -91.000 HIS 76 0.900 -21.314 -15.934 -28.441 -99.200 -91.000 TYR 79 0.840 -20.313 -25.621 -31.161 -99.200 -91.000 TRP 84 1.040 -23.816 -21.085 -28.735 -99.200 -91.000 TRP6 84 1.020 -23.097 -22.630 -27.093 -99.200 -91.000 TYR 90 0.840 -26.019 -17.148 -19.157 -99.200 -91.000 TYR 95 0.840 -17.982 -26.944 -19.100 -99.200 -91.000 TYR 99 0.840 -14.624 -25.053 -17.291 -99.200 -91.000 PHE 111 1.000 -20.609 -24.024 -15.646 -99.200 -91.000 HIS 124 0.900 -18.346 -8.286 5.893 -99.200 -91.000 HIS 135 0.900 -30.781 8.560 -4.677 -99.200 -91.000 HIS 137 0.900 -28.273 3.182 -12.997 -99.200 -91.000 HIS 153 0.900 -9.234 -13.002 -6.250 -99.200 -91.000 HIS 155 0.900 -8.237 -10.902 4.616 -99.200 -91.000 TYR 181 0.840 -37.244 -4.827 -8.505 -99.200 -91.000 HIS 183 0.900 -30.443 -0.034 -1.332 -99.200 -91.000 HIS 185 0.900 -38.447 -1.144 -7.003 -99.200 -91.000 PHE 189 1.000 -30.447 -6.466 0.175 -99.200 -91.000 TYR 196 0.840 -37.407 -21.530 -7.220 -99.200 -91.000 TYR 198 0.840 -27.266 -17.129 -13.507 -99.200 -91.000 PHE 202 1.000 -32.261 -11.013 -12.436 -99.200 -91.000 TYR 204 0.840 -37.524 -16.903 -4.368 -99.200 -91.000 PHE 207 1.000 -40.077 -8.987 -10.906 -99.200 -91.000 TYR 213 0.840 -42.711 -14.679 -7.742 -99.200 -91.000 HIS 219 0.900 -43.065 -13.533 -17.247 -99.200 -91.000 PHE 227 1.000 -29.959 -13.910 -17.344 -99.200 -91.000 HIS 230 0.900 -28.668 -8.737 -24.170 -99.200 -91.000 HIS 233 0.900 -21.838 -8.208 -30.524 -99.200 -91.000 TYR 253 0.840 -14.092 -12.021 -7.723 -99.200 -91.000 TRP 264 1.040 -23.898 3.634 -14.694 -99.200 -91.000 TRP6 264 1.020 -22.879 4.108 -12.613 -99.200 -91.000 HIS 268 0.900 -20.196 -1.009 -24.439 -99.200 -91.000 TYR 291 0.840 -43.879 11.720 -30.592 -99.200 -91.000 PHE 302 1.000 -37.878 -0.155 -34.800 -99.200 -91.000 HIS 304 0.900 -25.723 -3.746 -34.753 -99.200 -91.000 TYR 307 0.840 -24.529 -8.586 -35.755 -99.200 -91.000 HIS 330 0.900 -53.911 -10.060 -25.481 -99.200 -91.000 PHE 352 1.000 -31.619 -5.000 -38.497 -99.200 -91.000 PHE 357 1.000 -39.335 -2.843 -30.963 -99.200 -91.000 TYR 358 0.840 -38.072 -8.332 -31.697 -99.200 -91.000 PHE 373 1.000 -35.361 -2.299 -19.537 -99.200 -91.000 PHE 377 1.000 -25.355 -5.255 -22.745 -99.200 -91.000 TRP 385 1.040 -17.596 -7.567 -19.520 -99.200 -91.000 TRP6 385 1.020 -19.085 -6.555 -17.978 -99.200 -91.000 TRP 389 1.040 -8.975 -11.326 -15.814 -99.200 -91.000 TRP6 389 1.020 -8.661 -13.259 -14.494 -99.200 -91.000 TYR 407 0.840 3.276 17.380 -25.528 -99.200 -91.000 PHE 415 1.000 6.712 26.819 -13.520 -99.200 -91.000