============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. TYR 14 0.840 19.349 -6.218 35.068 -99.200 -91.000 TYR 15 0.840 20.824 -8.872 26.982 -99.200 -91.000 PHE 38 1.000 21.739 3.150 19.778 -99.200 -91.000 HIS 45 0.900 35.998 -7.255 21.541 -99.200 -91.000 PHE 47 1.000 36.004 -11.054 25.379 -99.200 -91.000 HIS 49 0.900 27.476 -14.225 21.401 -99.200 -91.000 TYR 51 0.840 30.721 -7.142 12.666 -99.200 -91.000 TYR 52 0.840 25.159 0.258 12.367 -99.200 -91.000 TYR 60 0.840 26.575 5.012 8.423 -99.200 -91.000 TYR 68 0.840 38.437 8.067 24.971 -99.200 -91.000 TYR 71 0.840 30.986 3.830 28.847 -99.200 -91.000 TRP 76 1.040 32.266 3.048 23.701 -99.200 -91.000 TRP6 76 1.020 31.592 4.780 22.245 -99.200 -91.000 HIS 89 0.900 9.964 -8.277 22.110 -99.200 -91.000 PHE 108 1.000 31.294 -0.797 25.972 -99.200 -91.000 PHE 109 1.000 31.852 -4.163 22.490 -99.200 -91.000 TRP 115 1.040 26.076 -6.311 27.483 -99.200 -91.000 TRP6 115 1.020 27.850 -4.811 27.061 -99.200 -91.000 TYR 123 0.840 18.252 14.540 31.762 -99.200 -91.000 PHE 136 1.000 16.523 5.483 21.087 -99.200 -91.000 PHE 137 1.000 13.046 8.443 26.774 -99.200 -91.000 HIS 145 0.900 2.004 12.214 18.343 -99.200 -91.000 PHE 150 1.000 14.380 6.108 31.216 -99.200 -91.000 HIS 168 0.900 -0.354 2.308 38.394 -99.200 -91.000 TYR 171 0.840 3.909 1.069 41.354 -99.200 -91.000 TRP 176 1.040 7.188 7.211 49.422 -99.200 -91.000 TRP6 176 1.020 6.680 9.101 50.739 -99.200 -91.000 TYR 177 0.840 7.187 10.248 41.487 -99.200 -91.000 TRP 184 1.040 24.924 16.439 36.005 -99.200 -91.000 TRP6 184 1.020 27.256 16.587 36.358 -99.200 -91.000 TYR 185 0.840 27.198 11.785 35.367 -99.200 -91.000 TYR 186 0.840 18.174 10.041 34.031 -99.200 -91.000 TYR 207 0.840 25.482 10.849 54.322 -99.200 -91.000 TYR 209 0.840 34.246 14.926 47.292 -99.200 -91.000 PHE 228 1.000 34.381 1.166 50.731 -99.200 -91.000 PHE 244 1.000 32.521 -12.325 56.425 -99.200 -91.000 PHE 248 1.000 32.895 -9.874 51.808 -99.200 -91.000 TRP 249 1.040 35.211 -6.613 55.136 -99.200 -91.000 TRP6 249 1.020 32.873 -6.439 55.417 -99.200 -91.000 TRP 257 1.040 28.884 -18.107 54.757 -99.200 -91.000 TRP6 257 1.020 28.780 -15.996 53.706 -99.200 -91.000 TRP 264 1.040 20.657 -14.793 52.959 -99.200 -91.000 TRP6 264 1.020 21.936 -13.646 51.343 -99.200 -91.000 PHE 267 1.000 27.137 -10.312 55.729 -99.200 -91.000 TYR 273 0.840 16.410 7.836 56.297 -99.200 -91.000 PHE 283 1.000 12.051 8.865 48.360 -99.200 -91.000 TYR 292 0.840 24.706 -5.325 52.102 -99.200 -91.000 TYR 307 0.840 26.163 -14.972 48.374 -99.200 -91.000 PHE 309 1.000 30.895 -4.750 51.104 -99.200 -91.000 PHE 328 1.000 14.446 -0.413 46.402 -99.200 -91.000 TYR 329 0.840 7.994 0.558 37.732 -99.200 -91.000 PHE 332 1.000 15.827 6.205 35.756 -99.200 -91.000 PHE 341 1.000 14.697 5.564 43.709 -99.200 -91.000 HIS 347 0.900 8.985 -8.918 46.993 -99.200 -91.000 HIS 349 0.900 10.538 -11.098 50.526 -99.200 -91.000 PHE 352 1.000 13.606 -14.735 60.289 -99.200 -91.000 PHE 361 1.000 11.449 8.032 57.524 -99.200 -91.000 TYR 371 0.840 31.488 18.884 47.216 -99.200 -91.000