============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. TRP 3 1.040 39.932 24.704 23.904 -99.200 -91.000 TRP6 3 1.020 38.800 23.111 25.213 -99.200 -91.000 PHE 16 1.000 32.154 20.356 33.083 -99.200 -91.000 TYR 25 0.840 36.277 23.898 33.913 -99.200 -91.000 PHE 28 1.000 33.756 29.413 23.667 -99.200 -91.000 TRP 29 1.040 29.114 22.286 25.424 -99.200 -91.000 TRP6 29 1.020 30.298 20.809 26.836 -99.200 -91.000 TYR 32 0.840 23.355 23.095 17.423 -99.200 -91.000 TYR 54 0.840 29.202 21.046 35.077 -99.200 -91.000 TYR 62 0.840 16.074 29.083 14.829 -99.200 -91.000 PHE 65 1.000 19.067 29.285 9.480 -99.200 -91.000 TYR 71 0.840 14.017 42.449 6.006 -99.200 -91.000 PHE 83 1.000 8.145 30.373 20.873 -99.200 -91.000 HIS 84 0.900 12.438 27.455 19.891 -99.200 -91.000 PHE 97 1.000 27.388 33.610 17.813 -99.200 -91.000 PHE 103 1.000 23.613 22.348 1.364 -99.200 -91.000 PHE 104 1.000 22.127 26.116 5.684 -99.200 -91.000 TRP 110 1.040 17.929 34.305 6.163 -99.200 -91.000 TRP6 110 1.020 19.287 34.067 8.077 -99.200 -91.000 TRP 114 1.040 20.669 36.637 12.727 -99.200 -91.000 TRP6 114 1.020 19.374 34.915 13.674 -99.200 -91.000 TYR 119 0.840 19.103 48.163 18.134 -99.200 -91.000 TYR 123 0.840 17.213 37.482 23.467 -99.200 -91.000 TYR 128 0.840 29.163 27.385 12.561 -99.200 -91.000 PHE 136 1.000 28.702 34.996 6.682 -99.200 -91.000 TYR 140 0.840 29.565 40.533 7.670 -99.200 -91.000 TRP 157 1.040 31.617 29.646 16.227 -99.200 -91.000 TRP6 157 1.020 29.887 28.524 17.338 -99.200 -91.000 TYR 174 0.840 40.336 34.337 17.755 -99.200 -91.000 TRP 186 1.040 34.517 39.992 18.719 -99.200 -91.000 TRP6 186 1.020 32.909 41.087 20.081 -99.200 -91.000 TRP 188 1.040 39.256 29.417 13.890 -99.200 -91.000 TRP6 188 1.020 41.502 29.084 14.517 -99.200 -91.000 TYR 190 0.840 40.847 24.551 17.973 -99.200 -91.000 PHE 211 1.000 28.190 41.822 24.121 -99.200 -91.000 TYR 213 0.840 21.681 32.789 31.517 -99.200 -91.000