============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 8.701 6.183 18.337 -99.200 -91.000 TRP6 14 1.020 7.400 7.955 19.195 -99.200 -91.000 PHE 19 1.000 12.500 -5.526 3.273 -99.200 -91.000 TRP 37 1.040 23.051 10.239 14.118 -99.200 -91.000 TRP6 37 1.020 24.905 8.782 14.026 -99.200 -91.000 HIS 43 0.900 19.387 -9.414 19.170 -99.200 -91.000 TYR 47 0.840 23.874 -14.466 18.886 -99.200 -91.000 TRP 49 1.040 21.950 -18.319 16.506 -99.200 -91.000 TRP6 49 1.020 20.030 -17.048 16.975 -99.200 -91.000 PHE 53 1.000 22.268 -9.395 8.136 -99.200 -91.000 HIS 65 0.900 -0.771 0.653 10.230 -99.200 -91.000 TYR 70 0.840 7.306 1.647 -2.130 -99.200 -91.000 TYR 84 0.840 29.292 4.993 13.690 -99.200 -91.000 HIS 86 0.900 29.358 -0.236 24.377 -99.200 -91.000 TYR 89 0.840 26.506 -7.483 20.761 -99.200 -91.000 TRP 91 1.040 30.018 -11.158 20.137 -99.200 -91.000 TRP6 91 1.020 30.972 -13.284 19.812 -99.200 -91.000 PHE 110 1.000 12.242 14.631 11.605 -99.200 -91.000 TYR 113 0.840 1.223 9.253 7.423 -99.200 -91.000 HIS 115 0.900 8.094 14.349 15.512 -99.200 -91.000 TYR 132 0.840 6.041 4.498 37.626 -99.200 -91.000 TRP 139 1.040 5.519 -3.995 10.987 -99.200 -91.000 TRP6 139 1.020 7.080 -2.262 11.320 -99.200 -91.000 PHE 176 1.000 13.783 -1.639 30.728 -99.200 -91.000 TYR 180 0.840 0.546 -7.016 31.938 -99.200 -91.000 PHE 199 1.000 9.329 -0.826 28.203 -99.200 -91.000 PHE 205 1.000 7.653 13.967 35.674 -99.200 -91.000 TRP 209 1.040 4.533 9.280 23.176 -99.200 -91.000 TRP6 209 1.020 3.769 7.291 24.186 -99.200 -91.000 TYR 210 0.840 11.598 12.095 27.505 -99.200 -91.000 TRP 217 1.040 18.581 -10.824 27.176 -99.200 -91.000 TRP6 217 1.020 17.989 -12.348 28.875 -99.200 -91.000 TYR 227 0.840 8.749 -11.745 34.607 -99.200 -91.000 PHE 229 1.000 15.543 -10.346 31.448 -99.200 -91.000 TYR 230 0.840 11.871 -4.931 26.824 -99.200 -91.000 HIS 232 0.900 18.775 1.829 32.408 -99.200 -91.000 PHE 234 1.000 20.640 8.334 32.259 -99.200 -91.000 TRP 239 1.040 28.938 3.654 22.234 -99.200 -91.000 TRP6 239 1.020 27.167 2.926 20.870 -99.200 -91.000 PHE 247 1.000 32.616 8.369 14.855 -99.200 -91.000