============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. HIS 6 0.900 47.301 46.233 58.477 -99.200 -91.000 TYR 9 0.840 39.226 43.977 49.731 -99.200 -91.000 TRP 20 1.040 23.519 51.070 37.508 -99.200 -91.000 TRP6 20 1.020 24.872 52.996 37.319 -99.200 -91.000 PHE 60 1.000 35.780 54.133 28.911 -99.200 -91.000 PHE 102 1.000 56.512 64.567 23.236 -99.200 -91.000 HIS 104 0.900 51.429 61.789 20.865 -99.200 -91.000 PHE 106 1.000 45.402 60.151 22.134 -99.200 -91.000 PHE 108 1.000 40.318 56.445 19.656 -99.200 -91.000 TYR 116 0.840 32.549 34.627 22.927 -99.200 -91.000 TYR 117 0.840 39.491 31.053 18.453 -99.200 -91.000 TYR 118 0.840 36.238 26.257 15.939 -99.200 -91.000 TYR 132 0.840 39.145 28.719 32.563 -99.200 -91.000 PHE 138 1.000 39.776 38.516 14.034 -99.200 -91.000 HIS 139 0.900 41.425 45.694 19.281 -99.200 -91.000 TRP 156 1.040 55.319 60.640 9.404 -99.200 -91.000 TRP6 156 1.020 53.330 59.396 9.624 -99.200 -91.000 PHE 159 1.000 57.061 53.782 14.959 -99.200 -91.000 PHE 170 1.000 56.268 48.670 11.860 -99.200 -91.000 TRP 173 1.040 61.609 41.505 14.509 -99.200 -91.000 TRP6 173 1.020 63.376 42.342 13.189 -99.200 -91.000 PHE 177 1.000 58.236 51.188 20.584 -99.200 -91.000 TRP 178 1.040 51.208 47.409 21.881 -99.200 -91.000 TRP6 178 1.020 50.121 46.182 20.185 -99.200 -91.000 PHE 179 1.000 51.559 44.187 23.786 -99.200 -91.000 PHE 184 1.000 57.021 39.638 24.206 -99.200 -91.000 TRP 216 1.040 47.289 51.158 13.930 -99.200 -91.000 TRP6 216 1.020 47.580 49.801 15.820 -99.200 -91.000 PHE 218 1.000 45.610 44.997 18.425 -99.200 -91.000 HIS 220 0.900 42.753 41.028 22.803 -99.200 -91.000 TRP 232 1.040 32.404 41.819 22.442 -99.200 -91.000 TRP6 232 1.020 34.024 43.501 22.077 -99.200 -91.000 PHE 236 1.000 29.620 49.725 25.613 -99.200 -91.000 PHE 251 1.000 49.934 52.830 41.631 -99.200 -91.000 HIS 283 0.900 38.305 39.050 41.067 -99.200 -91.000 HIS 290 0.900 47.773 40.448 32.935 -99.200 -91.000 HIS 291 0.900 48.444 41.832 43.016 -99.200 -91.000 PHE 297 1.000 57.985 39.381 42.846 -99.200 -91.000 PHE 300 1.000 50.129 38.339 51.475 -99.200 -91.000 TYR 314 0.840 16.767 41.851 46.200 -99.200 -91.000 TYR 318 0.840 27.420 28.207 47.691 -99.200 -91.000 PHE 323 1.000 26.386 34.721 56.067 -99.200 -91.000 TYR 331 0.840 23.924 38.715 54.349 -99.200 -91.000 TRP 333 1.040 32.215 36.523 53.170 -99.200 -91.000 TRP6 333 1.020 30.320 37.792 52.501 -99.200 -91.000 TYR 338 0.840 37.176 37.571 52.618 -99.200 -91.000 TRP 341 1.040 38.871 33.605 47.386 -99.200 -91.000 TRP6 341 1.020 38.404 35.907 47.143 -99.200 -91.000 HIS 344 0.900 43.666 30.606 45.573 -99.200 -91.000 PHE 353 1.000 33.778 35.545 48.561 -99.200 -91.000 TYR 357 0.840 22.178 39.546 45.100 -99.200 -91.000