============================================================================= 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 2 1.000 22.211 55.245 20.054 -99.200 -91.000 TYR 19 0.840 20.670 39.998 13.844 -99.200 -91.000 TYR 26 0.840 10.726 32.114 31.481 -99.200 -91.000 TYR 34 0.840 0.003 33.006 27.213 -99.200 -91.000 PHE 41 1.000 10.363 40.746 26.945 -99.200 -91.000 PHE 48 1.000 18.691 47.024 28.711 -99.200 -91.000 TRP 54 1.040 24.647 51.143 24.292 -99.200 -91.000 TRP6 54 1.020 24.630 48.786 24.010 -99.200 -91.000 PHE 73 1.000 31.394 54.218 13.147 -99.200 -91.000 PHE 77 1.000 15.834 49.785 13.315 -99.200 -91.000 TYR 105 0.840 12.273 20.607 28.335 -99.200 -91.000 PHE 110 1.000 13.295 25.149 22.330 -99.200 -91.000 PHE 142 1.000 1.086 35.313 23.852 -99.200 -91.000 HIS 155 0.900 28.811 36.507 17.256 -99.200 -91.000 PHE 179 1.000 19.596 48.594 34.072 -99.200 -91.000 TYR 197 0.840 43.943 48.816 17.805 -99.200 -91.000 TYR 201 0.840 50.863 41.875 14.729 -99.200 -91.000 HIS 209 0.900 46.048 27.478 13.087 -99.200 -91.000 TRP 223 1.040 22.057 22.723 13.483 -99.200 -91.000 TRP6 223 1.020 23.880 23.210 14.917 -99.200 -91.000 PHE 225 1.000 19.271 21.441 21.685 -99.200 -91.000 PHE 226 1.000 23.917 13.773 20.232 -99.200 -91.000 PHE 228 1.000 27.333 14.720 26.692 -99.200 -91.000 PHE 250 1.000 43.560 24.000 36.666 -99.200 -91.000 PHE 260 1.000 32.582 11.221 25.469 -99.200 -91.000 TRP 262 1.040 39.356 17.093 18.053 -99.200 -91.000 TRP6 262 1.020 41.358 18.097 18.829 -99.200 -91.000 PHE 281 1.000 37.438 21.350 20.209 -99.200 -91.000 TYR 297 0.840 32.865 45.534 26.135 -99.200 -91.000 TYR 306 0.840 42.119 29.158 15.749 -99.200 -91.000 HIS 307 0.900 43.228 23.640 21.288 -99.200 -91.000 TYR 345 0.840 46.008 40.891 9.128 -99.200 -91.000 HIS 347 0.900 43.417 50.534 14.220 -99.200 -91.000 TRP 372 1.040 26.802 30.175 23.541 -99.200 -91.000 TRP6 372 1.020 24.837 30.016 22.225 -99.200 -91.000 TRP 378 1.040 19.806 27.021 32.590 -99.200 -91.000 TRP6 378 1.020 17.964 25.531 32.568 -99.200 -91.000 TYR 380 0.840 19.648 36.334 33.281 -99.200 -91.000 PHE 382 1.000 13.950 37.912 30.867 -99.200 -91.000 PHE 397 1.000 22.281 27.857 13.000 -99.200 -91.000 TYR 405 0.840 26.470 27.313 18.598 -99.200 -91.000 PHE 406 1.000 30.316 21.852 25.353 -99.200 -91.000 PHE 415 1.000 28.400 21.267 30.855 -99.200 -91.000 TRP 435 1.040 27.546 10.243 21.323 -99.200 -91.000 TRP6 435 1.020 28.600 12.346 21.659 -99.200 -91.000 TYR 438 0.840 31.170 8.824 29.763 -99.200 -91.000 TYR 441 0.840 18.797 11.874 18.690 -99.200 -91.000