============================================================================= 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. TYR 10 0.840 -6.924 38.249 62.946 -99.200 -91.000 PHE 23 1.000 -1.428 41.338 56.567 -99.200 -91.000 TRP 24 1.040 1.801 44.956 63.521 -99.200 -91.000 TRP6 24 1.020 0.137 46.506 62.914 -99.200 -91.000 PHE 40 1.000 2.481 36.702 33.695 -99.200 -91.000 HIS 42 0.900 7.824 40.259 33.516 -99.200 -91.000 PHE 45 1.000 1.682 39.941 29.620 -99.200 -91.000 HIS 48 0.900 7.480 44.511 31.858 -99.200 -91.000 PHE 56 1.000 -0.025 28.284 50.039 -99.200 -91.000 PHE 58 1.000 1.461 21.993 48.026 -99.200 -91.000 TYR 61 0.840 -2.291 23.727 57.574 -99.200 -91.000 PHE 62 1.000 -2.995 22.916 51.225 -99.200 -91.000 PHE 70 1.000 -8.101 20.872 47.408 -99.200 -91.000 TYR 73 0.840 -10.793 29.573 43.510 -99.200 -91.000 TYR 76 0.840 -2.517 31.497 46.925 -99.200 -91.000 TYR 79 0.840 -1.220 29.069 55.315 -99.200 -91.000 HIS 87 0.900 -5.528 34.417 65.687 -99.200 -91.000 PHE 100 1.000 -17.722 25.508 60.974 -99.200 -91.000 HIS 122 0.900 -9.561 26.332 21.879 -99.200 -91.000 PHE 150 1.000 -11.326 24.122 58.404 -99.200 -91.000 PHE 174 1.000 -22.778 42.690 61.193 -99.200 -91.000 PHE 179 1.000 -30.913 40.941 61.257 -99.200 -91.000 PHE 181 1.000 -31.869 33.813 59.177 -99.200 -91.000 PHE 197 1.000 -8.311 36.252 30.503 -99.200 -91.000 PHE 202 1.000 -8.048 43.413 36.494 -99.200 -91.000 PHE 221 1.000 -5.902 57.786 49.655 -99.200 -91.000 PHE 228 1.000 -5.604 46.605 39.637 -99.200 -91.000 HIS 244 0.900 -20.182 28.883 69.020 -99.200 -91.000 TYR 259 0.840 -22.559 44.254 54.237 -99.200 -91.000 TYR 266 0.840 -20.817 57.673 36.661 -99.200 -91.000 HIS 267 0.900 -17.740 53.811 32.943 -99.200 -91.000 HIS 272 0.900 -21.631 59.541 41.706 -99.200 -91.000 TYR 298 0.840 -6.705 52.547 59.648 -99.200 -91.000 HIS 302 0.900 -11.101 49.792 46.228 -99.200 -91.000 PHE 333 1.000 3.072 48.471 53.974 -99.200 -91.000 HIS 336 0.900 -7.731 45.499 43.938 -99.200 -91.000 HIS 355 0.900 -0.216 44.899 66.558 -99.200 -91.000 PHE 357 1.000 2.210 52.299 63.795 -99.200 -91.000 TYR 370 0.840 -7.361 65.471 42.932 -99.200 -91.000 TYR 377 0.840 2.284 61.632 52.796 -99.200 -91.000 TYR 387 0.840 -16.919 52.057 68.002 -99.200 -91.000 PHE 393 1.000 -15.341 52.837 48.131 -99.200 -91.000 PHE 395 1.000 -11.911 47.536 38.340 -99.200 -91.000 HIS 398 0.900 -20.494 44.973 42.201 -99.200 -91.000 PHE 404 1.000 -13.750 45.174 60.559 -99.200 -91.000 TRP 407 1.040 -13.647 41.788 73.402 -99.200 -91.000 TRP6 407 1.020 -16.005 41.798 73.185 -99.200 -91.000