============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. TYR 17 0.840 0.262 -25.570 12.957 -99.200 -91.000 PHE 31 1.000 3.423 -13.625 -1.109 -99.200 -91.000 TYR 32 0.840 1.477 -16.516 2.540 -99.200 -91.000 HIS 39 0.900 -4.479 -26.584 -3.485 -99.200 -91.000 TYR 42 0.840 -13.073 -22.432 9.063 -99.200 -91.000 TYR 49 0.840 -7.111 -22.407 10.551 -99.200 -91.000 PHE 53 1.000 -1.463 -31.259 -6.397 -99.200 -91.000 PHE 56 1.000 -1.511 -37.403 6.400 -99.200 -91.000 HIS 58 0.900 -7.714 -27.794 9.160 -99.200 -91.000 HIS 59 0.900 -3.523 -26.088 10.334 -99.200 -91.000 PHE 76 1.000 9.599 -28.221 14.744 -99.200 -91.000 TYR 90 0.840 13.895 -32.559 25.861 -99.200 -91.000 TYR 91 0.840 10.713 -27.864 24.545 -99.200 -91.000 PHE 105 1.000 -1.828 -23.560 22.260 -99.200 -91.000 PHE 121 1.000 13.672 -18.785 17.201 -99.200 -91.000 TYR 123 0.840 10.992 -25.114 18.203 -99.200 -91.000 PHE 125 1.000 7.790 -29.767 20.252 -99.200 -91.000 PHE 126 1.000 0.404 -31.055 14.899 -99.200 -91.000 PHE 127 1.000 -1.086 -39.020 16.465 -99.200 -91.000 HIS 131 0.900 -5.675 -38.149 8.988 -99.200 -91.000 HIS 136 0.900 -1.925 -38.490 -3.616 -99.200 -91.000 TYR 139 0.840 -1.288 -35.104 -11.343 -99.200 -91.000 TYR 142 0.840 1.140 -29.833 -10.491 -99.200 -91.000 HIS 152 0.900 13.763 -25.292 4.516 -99.200 -91.000 PHE 153 1.000 8.587 -24.723 10.720 -99.200 -91.000 TYR 166 0.840 16.452 -26.353 21.993 -99.200 -91.000 PHE 172 1.000 14.594 -30.800 15.252 -99.200 -91.000 TYR 186 0.840 30.631 -17.162 10.183 -99.200 -91.000 TRP 189 1.040 20.764 -25.608 6.136 -99.200 -91.000 TRP6 189 1.020 22.664 -24.187 6.255 -99.200 -91.000 HIS 191 0.900 17.486 -35.835 9.229 -99.200 -91.000 HIS 197 0.900 16.706 -27.189 5.663 -99.200 -91.000 HIS 210 0.900 16.678 -15.833 6.635 -99.200 -91.000 HIS 211 0.900 14.347 -19.524 4.940 -99.200 -91.000 PHE 214 1.000 4.594 -23.564 2.259 -99.200 -91.000 HIS 217 0.900 5.085 -32.662 -7.730 -99.200 -91.000 HIS 220 0.900 8.371 -27.752 -14.566 -99.200 -91.000 HIS 245 0.900 19.801 -22.620 -1.082 -99.200 -91.000 PHE 251 1.000 16.280 -23.808 -9.725 -99.200 -91.000 TYR 252 0.840 18.708 -20.165 -3.866 -99.200 -91.000 TYR 254 0.840 16.030 -17.917 0.204 -99.200 -91.000 HIS 261 0.900 5.467 -12.609 8.634 -99.200 -91.000 TYR 266 0.840 14.981 -27.098 0.122 -99.200 -91.000 TYR 270 0.840 22.029 -33.899 0.770 -99.200 -91.000 TYR 271 0.840 17.909 -41.621 3.166 -99.200 -91.000 TRP 282 1.040 28.847 -26.428 2.183 -99.200 -91.000 TRP6 282 1.020 29.176 -26.256 -0.150 -99.200 -91.000 HIS 285 0.900 36.099 -15.934 4.865 -99.200 -91.000 TRP 292 1.040 26.958 -25.779 -7.632 -99.200 -91.000 TRP6 292 1.020 28.730 -26.656 -6.307 -99.200 -91.000 TRP 293 1.040 24.094 -22.179 -10.436 -99.200 -91.000 TRP6 293 1.020 21.823 -21.617 -10.751 -99.200 -91.000 TRP 301 1.040 18.450 -15.033 2.352 -99.200 -91.000 TRP6 301 1.020 19.723 -16.396 3.808 -99.200 -91.000 TYR 302 0.840