============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 17 1.000 29.568 -12.995 50.727 -99.200 -91.000 PHE 28 1.000 26.765 3.717 45.436 -99.200 -91.000 TYR 32 0.840 25.091 -6.992 44.678 -99.200 -91.000 TRP 36 1.040 29.269 -14.420 57.025 -99.200 -91.000 TRP6 36 1.020 30.168 -13.515 59.012 -99.200 -91.000 TYR 69 0.840 43.380 1.701 58.755 -99.200 -91.000 HIS 78 0.900 23.774 4.792 69.340 -99.200 -91.000 PHE 100 1.000 12.582 -0.956 59.975 -99.200 -91.000 TYR 106 0.840 11.868 5.226 59.403 -99.200 -91.000 HIS 110 0.900 8.221 5.226 57.447 -99.200 -91.000 TYR 118 0.840 9.820 6.440 67.644 -99.200 -91.000 TRP 122 1.040 15.667 8.367 65.222 -99.200 -91.000 TRP6 122 1.020 13.890 8.961 63.773 -99.200 -91.000 TYR 132 0.840 33.668 4.687 69.038 -99.200 -91.000 HIS 140 0.900 30.806 10.443 58.375 -99.200 -91.000 HIS 155 0.900 20.732 0.547 67.939 -99.200 -91.000 PHE 161 1.000 32.498 5.594 59.292 -99.200 -91.000 TYR 174 0.840 42.257 15.630 55.146 -99.200 -91.000 HIS 175 0.900 45.912 21.627 56.813 -99.200 -91.000 TRP 185 1.040 24.367 17.886 54.820 -99.200 -91.000 TRP6 185 1.020 23.430 17.874 52.634 -99.200 -91.000 HIS 193 0.900 40.491 29.767 54.883 -99.200 -91.000 TYR 196 0.840 36.908 19.242 55.155 -99.200 -91.000 HIS 198 0.900 37.732 15.342 66.364 -99.200 -91.000 TRP 203 1.040 27.833 24.220 58.953 -99.200 -91.000 TRP6 203 1.020 28.380 26.511 59.139 -99.200 -91.000 TYR 205 0.840 24.210 16.516 66.075 -99.200 -91.000 TRP 210 1.040 16.939 23.221 58.587 -99.200 -91.000 TRP6 210 1.020 16.200 22.602 56.427 -99.200 -91.000 PHE 215 1.000 8.437 15.934 60.411 -99.200 -91.000 TYR 220 0.840 21.864 26.236 52.890 -99.200 -91.000 TYR 249 0.840 16.643 28.357 64.108 -99.200 -91.000 TRP 256 1.040 24.465 25.227 61.299 -99.200 -91.000 TRP6 256 1.020 22.108 25.392 61.063 -99.200 -91.000 PHE 266 1.000 29.767 15.816 66.993 -99.200 -91.000 PHE 273 1.000 19.597 17.995 70.111 -99.200 -91.000 TYR 283 0.840 12.721 20.984 75.824 -99.200 -91.000 HIS 293 0.900 -5.655 4.003 63.752 -99.200 -91.000 TYR 309 0.840 -28.647 15.009 64.647 -99.200 -91.000