============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 69 rings ring int. center anis. iso. PHE 12 1.000 17.199 26.293 22.852 -99.200 -91.000 PHE 19 1.000 9.831 23.236 23.457 -99.200 -91.000 TYR 38 0.840 17.827 12.283 23.493 -99.200 -91.000 HIS 50 0.900 24.097 14.927 11.267 -99.200 -91.000 HIS 74 0.900 8.723 31.737 21.403 -99.200 -91.000 TRP 79 1.040 15.555 13.796 14.164 -99.200 -91.000 TRP6 79 1.020 15.390 13.657 11.815 -99.200 -91.000 PHE 87 1.000 21.317 1.715 17.208 -99.200 -91.000 TYR 89 0.840 18.962 3.205 7.216 -99.200 -91.000 TYR 119 0.840 -7.303 -4.485 14.897 -99.200 -91.000 PHE 128 1.000 10.286 -3.967 15.969 -99.200 -91.000 TYR 132 0.840 8.698 -12.879 21.328 -99.200 -91.000 TYR 134 0.840 -0.633 -8.009 26.336 -99.200 -91.000 PHE 146 1.000 13.711 -7.785 16.061 -99.200 -91.000 TYR 166 0.840 15.080 -9.577 7.956 -99.200 -91.000 TYR 169 0.840 1.172 -10.372 7.874 -99.200 -91.000 HIS 172 0.900 8.639 -4.264 9.381 -99.200 -91.000 PHE 173 1.000 3.335 2.966 3.968 -99.200 -91.000 TYR 189 0.840 -5.387 13.010 8.014 -99.200 -91.000 TRP 202 1.040 -7.327 4.737 12.255 -99.200 -91.000 TRP6 202 1.020 -6.415 5.461 14.308 -99.200 -91.000 PHE 205 1.000 -10.998 0.069 2.650 -99.200 -91.000 TRP 207 1.040 -7.180 1.058 -0.191 -99.200 -91.000 TRP6 207 1.020 -4.826 0.839 -0.012 -99.200 -91.000 TYR 209 0.840 -15.204 9.673 -0.104 -99.200 -91.000 PHE 217 1.000 0.592 12.750 7.152 -99.200 -91.000 TYR 222 0.840 5.129 16.472 3.338 -99.200 -91.000 PHE 230 1.000 2.026 -3.174 14.128 -99.200 -91.000 TRP 231 1.040 -4.046 -4.998 8.413 -99.200 -91.000 TRP6 231 1.020 -4.071 -4.812 6.051 -99.200 -91.000 PHE 239 1.000 9.870 -20.301 11.551 -99.200 -91.000 PHE 242 1.000 13.841 -23.135 2.882 -99.200 -91.000 PHE 246 1.000 22.495 -21.127 -3.811 -99.200 -91.000 TRP 279 1.040 24.276 -9.506 6.831 -99.200 -91.000 TRP6 279 1.020 23.541 -7.344 6.257 -99.200 -91.000 HIS 285 0.900 27.868 -12.027 17.809 -99.200 -91.000 TYR 291 0.840 38.496 -15.370 9.441 -99.200 -91.000 HIS 297 0.900 40.377 -5.120 -1.205 -99.200 -91.000 TRP 315 1.040 26.124 -14.689 -3.629 -99.200 -91.000 TRP6 315 1.020 25.736 -12.473 -2.875 -99.200 -91.000 TYR 318 0.840 20.555 -18.067 6.845 -99.200 -91.000 TYR 322 0.840 6.651 -18.388 7.607 -99.200 -91.000 TRP 332 1.040 11.485 -29.817 2.550 -99.200 -91.000 TRP6 332 1.020 12.995 -28.011 2.776 -99.200 -91.000 PHE 339 1.000 16.914 -23.333 -4.235 -99.200 -91.000 PHE 359 1.000 18.594 -22.720 10.189 -99.200 -91.000 TYR 361 0.840 21.088 -13.375 12.617 -99.200 -91.000 PHE 375 1.000 22.929 -3.958 18.860 -99.200 -91.000 TYR 378 0.840 25.893 -1.911 14.690 -99.200 -91.000 TRP 380 1.040 34.122 -7.176 8.480 -99.200 -91.000 TRP6 380 1.020 34.945 -9.393 8.486 -99.200 -91.000 TRP 388 1.040 22.061 0.241 7.873 -99.200 -91.000 TRP6 388 1.020 22.917 -1.961 7.791 -99.200 -91.000 PHE 389 1.000 24.864 2.543 -2.139 -99.200 -91.000 HIS 412 0.