============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. PHE 1 1.000 19.829 51.592 65.533 -99.200 -91.000 PHE 9 1.000 27.017 64.499 57.576 -99.200 -91.000 TRP 14 1.040 33.911 61.687 62.998 -99.200 -91.000 TRP6 14 1.020 33.838 62.487 65.230 -99.200 -91.000 TYR 20 0.840 31.110 61.295 47.355 -99.200 -91.000 TRP 24 1.040 23.693 67.893 55.299 -99.200 -91.000 TRP6 24 1.020 21.941 68.814 56.602 -99.200 -91.000 TYR 32 0.840 12.482 70.440 47.956 -99.200 -91.000 PHE 36 1.000 7.026 68.571 53.860 -99.200 -91.000 PHE 45 1.000 5.331 71.333 60.585 -99.200 -91.000 PHE 46 1.000 4.755 71.733 65.996 -99.200 -91.000 PHE 66 1.000 16.286 65.806 44.590 -99.200 -91.000 PHE 74 1.000 8.968 67.297 58.663 -99.200 -91.000 PHE 98 1.000 6.176 78.685 70.923 -99.200 -91.000 TYR 123 0.840 6.677 63.694 69.009 -99.200 -91.000 PHE 125 1.000 14.224 60.887 72.491 -99.200 -91.000 PHE 144 1.000 15.918 69.359 63.407 -99.200 -91.000 TRP 149 1.040 19.513 84.411 70.330 -99.200 -91.000 TRP6 149 1.020 18.347 85.986 71.646 -99.200 -91.000 TYR 154 0.840 11.626 80.620 66.017 -99.200 -91.000 TRP 170 1.040 11.810 88.633 77.913 -99.200 -91.000 TRP6 170 1.020 11.581 86.932 79.557 -99.200 -91.000 TYR 172 0.840 20.782 95.254 75.291 -99.200 -91.000 HIS 179 0.900 22.908 85.039 81.699 -99.200 -91.000 TYR 192 0.840 14.752 66.652 70.938 -99.200 -91.000 PHE 207 1.000 19.102 73.470 61.697 -99.200 -91.000 HIS 210 0.900 15.295 83.502 64.848 -99.200 -91.000 HIS 213 0.900 17.531 88.694 64.168 -99.200 -91.000 PHE 219 1.000 27.086 84.051 69.283 -99.200 -91.000 PHE 222 1.000 22.310 87.862 78.131 -99.200 -91.000 TYR 226 0.840 23.169 79.949 78.510 -99.200 -91.000 PHE 251 1.000 22.728 77.685 59.513 -99.200 -91.000 HIS 256 0.900 29.373 89.335 60.689 -99.200 -91.000 PHE 257 1.000 27.890 88.131 65.741 -99.200 -91.000 TYR 267 0.840 28.580 72.690 68.811 -99.200 -91.000 TRP 274 1.040 23.217 84.335 51.363 -99.200 -91.000 TRP6 274 1.020 21.392 83.625 52.666 -99.200 -91.000 TYR 301 0.840 13.879 81.132 43.816 -99.200 -91.000 PHE 318 1.000 32.943 76.555 51.616 -99.200 -91.000 HIS 321 0.900 42.838 68.890 51.680 -99.200 -91.000 TYR 323 0.840 32.491 72.602 50.953 -99.200 -91.000 HIS 329 0.900 17.676 79.959 56.636 -99.200 -91.000 TYR 332 0.840 14.231 80.729 50.433 -99.200 -91.000 HIS 339 0.900 16.107 74.994 38.356 -99.200 -91.000 PHE 343 1.000 23.598 72.393 46.455 -99.200 -91.000 HIS 348 0.900 27.034 63.599 44.956 -99.200 -91.000 HIS 350 0.900 31.410 71.412 38.313 -99.200 -91.000