============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. PHE 15 1.000 2.634 50.398 15.098 -99.200 -91.000 TYR 32 0.840 6.833 39.526 35.304 -99.200 -91.000 TYR 38 0.840 2.886 44.140 37.318 -99.200 -91.000 HIS 43 0.900 14.951 48.779 38.054 -99.200 -91.000 HIS 44 0.900 11.989 50.454 46.319 -99.200 -91.000 HIS 49 0.900 10.902 55.768 29.956 -99.200 -91.000 PHE 56 1.000 2.905 43.941 28.392 -99.200 -91.000 TRP 64 1.040 -5.401 36.950 28.878 -99.200 -91.000 TRP6 64 1.020 -6.180 34.771 28.334 -99.200 -91.000 PHE 77 1.000 1.618 49.359 25.478 -99.200 -91.000 TYR 84 0.840 12.032 52.310 26.423 -99.200 -91.000 PHE 88 1.000 7.331 52.294 17.846 -99.200 -91.000 TYR 91 0.840 -2.364 59.122 16.802 -99.200 -91.000 PHE 99 1.000 4.784 48.520 19.796 -99.200 -91.000 PHE 102 1.000 13.264 51.122 19.227 -99.200 -91.000 HIS 108 0.900 16.054 43.186 30.130 -99.200 -91.000 HIS 126 0.900 41.758 30.506 29.745 -99.200 -91.000 TRP 137 1.040 23.329 32.304 29.653 -99.200 -91.000 TRP6 137 1.020 21.959 33.490 28.129 -99.200 -91.000 TYR 140 0.840 22.608 39.523 27.372 -99.200 -91.000 PHE 152 1.000 9.558 37.282 24.548 -99.200 -91.000 TYR 167 0.840 41.752 30.554 16.848 -99.200 -91.000 PHE 172 1.000 30.148 30.826 22.483 -99.200 -91.000 PHE 175 1.000 18.681 33.470 19.764 -99.200 -91.000 TRP 176 1.040 16.685 39.919 24.085 -99.200 -91.000 TRP6 176 1.020 15.195 40.470 25.847 -99.200 -91.000 PHE 198 1.000 20.349 33.371 11.830 -99.200 -91.000 PHE 225 1.000 25.025 33.852 13.141 -99.200 -91.000 PHE 230 1.000 18.010 25.245 20.246 -99.200 -91.000 HIS 237 0.900 11.772 40.429 11.292 -99.200 -91.000 PHE 241 1.000 12.123 43.255 5.526 -99.200 -91.000 PHE 254 1.000 2.673 28.688 2.547 -99.200 -91.000 PHE 257 1.000 3.627 29.686 9.636 -99.200 -91.000 PHE 267 1.000 18.244 24.514 11.622 -99.200 -91.000 HIS 273 0.900 13.730 15.902 20.924 -99.200 -91.000 TYR 276 0.840 11.488 26.437 20.493 -99.200 -91.000 TYR 279 0.840 3.281 31.780 21.840 -99.200 -91.000 HIS 284 0.900 2.688 44.403 6.008 -99.200 -91.000 HIS 292 0.900 -5.514 46.326 9.461 -99.200 -91.000 TYR 293 0.840 2.201 44.582 10.912 -99.200 -91.000 TYR 296 0.840 -4.191 34.371 11.203 -99.200 -91.000 TRP 305 1.040 -4.493 27.858 16.567 -99.200 -91.000 TRP6 305 1.020 -2.544 29.192 16.345 -99.200 -91.000 HIS 306 0.900 -10.521 32.468 19.629 -99.200 -91.000 PHE 308 1.000 -6.932 37.291 19.586 -99.200 -91.000 TYR 327 0.840 7.420 41.269 9.206 -99.200 -91.000 PHE 330 1.000 5.207 36.537 18.569 -99.200 -91.000 TYR 331 0.840 7.240 28.050 15.621 -99.200 -91.000