============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. PHE 31 1.000 17.891 7.880 19.234 -99.200 -91.000 TRP 32 1.040 16.100 8.532 14.418 -99.200 -91.000 TRP6 32 1.020 17.233 6.413 14.412 -99.200 -91.000 PHE 43 1.000 19.309 1.212 17.472 -99.200 -91.000 PHE 54 1.000 3.994 -0.298 18.119 -99.200 -91.000 TRP 55 1.040 10.950 1.864 19.624 -99.200 -91.000 TRP6 55 1.020 11.768 3.302 21.327 -99.200 -91.000 HIS 66 0.900 9.597 1.442 14.288 -99.200 -91.000 TRP 67 1.040 5.520 -4.951 17.507 -99.200 -91.000 TRP6 67 1.020 5.451 -4.814 19.904 -99.200 -91.000 TYR 72 0.840 23.809 -11.991 13.622 -99.200 -91.000 PHE 76 1.000 20.291 -16.147 10.419 -99.200 -91.000 TYR 77 0.840 12.137 -16.801 13.455 -99.200 -91.000 HIS 81 0.900 11.783 -18.216 9.814 -99.200 -91.000 PHE 85 1.000 9.141 -11.638 11.319 -99.200 -91.000 TYR 88 0.840 2.343 -6.196 -2.249 -99.200 -91.000 TYR 103 0.840 8.281 4.863 -11.528 -99.200 -91.000 PHE 104 1.000 9.946 6.645 -6.822 -99.200 -91.000 HIS 115 0.900 12.607 -11.625 -4.155 -99.200 -91.000 PHE 126 1.000 23.999 -8.121 -12.820 -99.200 -91.000 HIS 143 0.900 44.225 5.402 -12.297 -99.200 -91.000 HIS 184 0.900 28.141 9.561 -16.772 -99.200 -91.000 PHE 188 1.000 26.558 11.441 -11.546 -99.200 -91.000 HIS 189 0.900 18.311 18.042 -11.845 -99.200 -91.000 TRP 190 1.040 16.234 13.381 -14.676 -99.200 -91.000 TRP6 190 1.020 16.582 11.976 -16.572 -99.200 -91.000 PHE 197 1.000 10.248 12.182 -0.350 -99.200 -91.000 PHE 206 1.000 4.152 15.319 -4.518 -99.200 -91.000 PHE 209 1.000 10.447 12.059 -5.334 -99.200 -91.000 TYR 219 0.840 18.492 7.952 -20.252 -99.200 -91.000 HIS 231 0.900 24.038 -8.144 -27.327 -99.200 -91.000 HIS 232 0.900 24.696 -0.687 -27.730 -99.200 -91.000 PHE 257 1.000 17.996 -4.278 -11.450 -99.200 -91.000 PHE 258 1.000 19.101 3.855 -14.452 -99.200 -91.000 HIS 275 0.900 29.634 6.014 8.222 -99.200 -91.000 TYR 283 0.840 38.901 3.315 15.341 -99.200 -91.000 TRP 290 1.040 43.375 -3.256 3.374 -99.200 -91.000 TRP6 290 1.020 41.367 -2.020 2.947 -99.200 -91.000 TRP 291 1.040 47.572 2.490 3.018 -99.200 -91.000 TRP6 291 1.020 45.287 1.947 2.490 -99.200 -91.000 PHE 294 1.000 43.954 -2.895 -0.995 -99.200 -91.000 TRP 308 1.040 33.511 1.230 12.419 -99.200 -91.000 TRP6 308 1.020 33.729 0.317 14.633 -99.200 -91.000 TYR 314 0.840 14.330 1.415 8.916 -99.200 -91.000 TRP 339 1.040 15.710 -1.031 14.453 -99.200 -91.000 TRP6 339 1.020 15.916 1.171 13.538 -99.200 -91.000 TYR 340 0.840 19.335 -4.926 7.896 -99.200 -91.000 PHE 350 1.000 29.251 -9.363 14.632 -99.200 -91.000 TRP 354 1.040 31.133 -2.024 21.962 -99.200 -91.000 TRP6 354 1.020 29.382 -0.961 20.761 -99.200 -91.000 PHE 356 1.000 37.640 -0.157 10.943 -99.200 -91.000 HIS 365 0.900 28.799 -7.645 6.997 -99.200 -91.000 PHE 368 1.000 27.014 -6.262 1.496 -99.200 -91.000 HIS 374 0.900 12.921 -9.612 -0.393 -99.200 -91.000 PHE 375 1.000