============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. PHE 11 1.000 82.597 70.295 30.842 -99.200 -91.000 TRP 15 1.040 90.027 68.005 28.714 -99.200 -91.000 TRP6 15 1.020 90.176 70.176 27.780 -99.200 -91.000 TYR 25 0.840 95.457 54.999 26.581 -99.200 -91.000 HIS 42 0.900 83.029 68.155 19.828 -99.200 -91.000 HIS 52 0.900 96.987 56.345 16.642 -99.200 -91.000 TRP 56 1.040 83.465 52.281 16.901 -99.200 -91.000 TRP6 56 1.020 83.497 50.088 15.998 -99.200 -91.000 PHE 66 1.000 76.788 51.950 24.278 -99.200 -91.000 PHE 77 1.000 88.924 55.428 30.075 -99.200 -91.000 HIS 78 0.900 78.302 54.008 30.577 -99.200 -91.000 PHE 85 1.000 70.055 68.171 35.644 -99.200 -91.000 PHE 120 1.000 78.765 54.532 36.108 -99.200 -91.000 HIS 132 0.900 73.117 67.101 59.477 -99.200 -91.000 TYR 137 0.840 78.380 63.812 52.460 -99.200 -91.000 TRP 142 1.040 76.842 53.746 48.493 -99.200 -91.000 TRP6 142 1.020 76.813 53.633 46.127 -99.200 -91.000 PHE 147 1.000 66.391 64.771 51.155 -99.200 -91.000 TRP 156 1.040 63.134 64.573 40.825 -99.200 -91.000 TRP6 156 1.020 62.379 62.347 40.561 -99.200 -91.000 TYR 158 0.840 72.881 63.504 36.554 -99.200 -91.000 PHE 159 1.000 71.591 65.292 41.950 -99.200 -91.000 TRP 170 1.040 80.380 49.730 42.866 -99.200 -91.000 TRP6 170 1.020 82.563 48.977 42.401 -99.200 -91.000 TYR 172 0.840 77.519 41.842 34.983 -99.200 -91.000 PHE 180 1.000 81.959 49.202 37.750 -99.200 -91.000 PHE 192 1.000 82.861 74.653 26.830 -99.200 -91.000 HIS 214 0.900 70.631 74.197 36.778 -99.200 -91.000 TYR 215 0.840 71.166 80.935 42.335 -99.200 -91.000 PHE 223 1.000 82.233 74.743 42.896 -99.200 -91.000 HIS 225 0.900 90.697 72.678 34.788 -99.200 -91.000 HIS 233 0.900 87.077 59.898 34.093 -99.200 -91.000 TYR 235 0.840 97.132 57.699 39.346 -99.200 -91.000 PHE 237 1.000 92.565 51.349 30.927 -99.200 -91.000 TYR 246 0.840 90.119 54.937 43.549 -99.200 -91.000 HIS 251 0.900 90.153 74.046 44.350 -99.200 -91.000 TYR 266 0.840 85.058 86.318 34.449 -99.200 -91.000 TYR 269 0.840 79.711 88.087 32.443 -99.200 -91.000 PHE 275 1.000 74.055 84.157 45.720 -99.200 -91.000 PHE 287 1.000 80.954 64.893 47.590 -99.200 -91.000 PHE 297 1.000 94.769 62.901 39.702 -99.200 -91.000 PHE 299 1.000 92.154 66.425 42.630 -99.200 -91.000 TYR 301 0.840 94.423 72.376 35.232 -99.200 -91.000 PHE 307 1.000 83.485 78.257 38.891 -99.200 -91.000 HIS 324 0.900 74.972 89.534 32.872 -99.200 -91.000