============================================================================= 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. PHE 10 1.000 -74.935 16.750 -30.656 -99.200 -91.000 TYR 17 0.840 -76.102 26.094 -38.641 -99.200 -91.000 PHE 37 1.000 -62.414 19.676 -41.703 -99.200 -91.000 TYR 39 0.840 -64.411 14.908 -37.871 -99.200 -91.000 PHE 40 1.000 -72.132 17.180 -35.125 -99.200 -91.000 HIS 46 0.900 -75.828 -1.622 -34.133 -99.200 -91.000 PHE 72 1.000 -64.808 27.906 -38.042 -99.200 -91.000 TYR 88 0.840 -58.176 37.877 -22.829 -99.200 -91.000 TYR 89 0.840 -59.922 33.826 -30.893 -99.200 -91.000 TYR 101 0.840 -68.513 38.525 -24.653 -99.200 -91.000 TYR 103 0.840 -76.505 40.729 -26.256 -99.200 -91.000 HIS 111 0.900 -60.608 17.969 -19.799 -99.200 -91.000 TRP 120 1.040 -56.831 7.773 -21.174 -99.200 -91.000 TRP6 120 1.020 -58.825 6.534 -21.318 -99.200 -91.000 TYR 123 0.840 -51.267 -0.821 -19.251 -99.200 -91.000 TYR 125 0.840 -58.777 -1.093 -25.070 -99.200 -91.000 PHE 132 1.000 -58.885 6.022 -26.849 -99.200 -91.000 PHE 143 1.000 -60.965 -10.328 -24.031 -99.200 -91.000 PHE 155 1.000 -71.068 16.028 -13.360 -99.200 -91.000 TYR 156 0.840 -63.496 14.840 -10.131 -99.200 -91.000 HIS 159 0.900 -72.472 19.903 -5.941 -99.200 -91.000 PHE 169 1.000 -87.225 22.677 -13.448 -99.200 -91.000 PHE 182 1.000 -79.170 -1.617 -18.025 -99.200 -91.000 HIS 189 0.900 -74.824 -11.882 -21.414 -99.200 -91.000 TYR 191 0.840 -68.256 -9.413 -30.265 -99.200 -91.000 PHE 192 1.000 -66.920 -10.604 -25.706 -99.200 -91.000 HIS 202 0.900 -64.451 -15.048 -16.802 -99.200 -91.000 PHE 206 1.000 -65.218 1.061 -13.751 -99.200 -91.000 TYR 211 0.840 -75.062 0.708 -13.240 -99.200 -91.000 TYR 227 0.840 -75.438 -4.960 -14.951 -99.200 -91.000 HIS 236 0.900 -73.490 -1.445 -6.211 -99.200 -91.000 PHE 238 1.000 -63.111 0.218 -8.881 -99.200 -91.000 HIS 246 0.900 -53.246 -8.890 -17.885 -99.200 -91.000 TYR 267 0.840 -68.956 14.128 -18.945 -99.200 -91.000 PHE 286 1.000 -69.383 21.308 -15.362 -99.200 -91.000 TYR 298 0.840 -69.906 38.462 -15.045 -99.200 -91.000 TYR 302 0.840 -78.267 34.589 -23.766 -99.200 -91.000 TYR 317 0.840 -82.448 14.305 -24.200 -99.200 -91.000 HIS 329 0.900 -83.520 35.825 -22.497 -99.200 -91.000 TYR 343 0.840 -83.487 22.625 -18.854 -99.200 -91.000 TYR 344 0.840 -91.209 20.744 -19.550 -99.200 -91.000 TYR 355 0.840 -88.506 -5.330 -22.253 -99.200 -91.000