============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 47.150 28.043 16.429 -99.200 -91.000 TRP6 14 1.020 48.316 30.071 16.772 -99.200 -91.000 PHE 19 1.000 35.134 18.372 3.804 -99.200 -91.000 TRP 37 1.040 55.126 15.252 12.057 -99.200 -91.000 TRP6 37 1.020 54.464 13.033 12.473 -99.200 -91.000 HIS 43 0.900 36.976 12.567 20.926 -99.200 -91.000 TYR 47 0.840 33.795 6.564 21.746 -99.200 -91.000 TRP 49 1.040 29.086 6.488 19.716 -99.200 -91.000 TRP6 49 1.020 29.559 8.799 19.967 -99.200 -91.000 PHE 53 1.000 36.060 8.625 10.257 -99.200 -91.000 HIS 65 0.900 37.046 34.015 8.926 -99.200 -91.000 TYR 70 0.840 38.585 25.067 -2.945 -99.200 -91.000 TYR 84 0.840 52.655 7.812 13.081 -99.200 -91.000 HIS 86 0.900 49.692 7.267 24.512 -99.200 -91.000 TYR 89 0.840 41.368 6.647 22.218 -99.200 -91.000 TRP 91 1.040 38.818 2.364 22.560 -99.200 -91.000 TRP6 91 1.020 36.999 0.912 22.632 -99.200 -91.000 PHE 110 1.000 54.788 26.530 8.323 -99.200 -91.000 TYR 113 0.840 45.252 34.805 4.926 -99.200 -91.000 HIS 115 0.900 53.876 31.110 11.778 -99.200 -91.000 TYR 132 0.840 47.890 32.212 35.625 -99.200 -91.000 TRP 139 1.040 35.295 26.441 11.221 -99.200 -91.000 TRP6 139 1.020 37.498 25.667 11.071 -99.200 -91.000 TRP 146 1.040 19.878 23.416 16.356 -99.200 -91.000 TRP6 146 1.020 21.983 22.381 16.629 -99.200 -91.000 PHE 184 1.000 43.994 21.780 30.415 -99.200 -91.000 TYR 188 0.840 34.276 32.490 32.101 -99.200 -91.000 PHE 207 1.000 42.684 25.952 27.402 -99.200 -91.000 PHE 213 1.000 57.118 37.389 31.836 -99.200 -91.000 TRP 217 1.040 49.124 33.397 20.218 -99.200 -91.000 TRP6 217 1.020 47.242 33.649 21.599 -99.200 -91.000 TYR 218 0.840 54.699 28.739 24.341 -99.200 -91.000 TRP 225 1.040 36.432 13.736 28.696 -99.200 -91.000 TRP6 225 1.020 35.086 14.031 30.622 -99.200 -91.000 TYR 235 0.840 33.497 23.505 35.935 -99.200 -91.000 PHE 237 1.000 36.773 16.950 32.856 -99.200 -91.000 TYR 238 0.840 39.475 22.003 27.014 -99.200 -91.000 HIS 240 0.900 48.726 18.579 31.331 -99.200 -91.000 PHE 242 1.000 55.535 19.565 29.959 -99.200 -91.000 TRP 247 1.040 52.637 8.643 21.523 -99.200 -91.000 TRP6 247 1.020 51.163 9.951 20.260 -99.200 -91.000 PHE 255 1.000 66.896 16.834 16.424 -99.200 -91.000