============================================================================= 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 30.937 -19.323 -40.451 -99.200 -91.000 PHE 31 1.000 33.521 -21.530 -22.025 -99.200 -91.000 TYR 32 0.840 33.678 -21.651 -27.054 -99.200 -91.000 HIS 39 0.900 27.569 -32.777 -30.417 -99.200 -91.000 TYR 42 0.840 39.656 -30.372 -40.352 -99.200 -91.000 TYR 49 0.840 36.783 -25.219 -39.342 -99.200 -91.000 PHE 53 1.000 21.388 -33.756 -29.973 -99.200 -91.000 PHE 56 1.000 21.021 -28.271 -43.105 -99.200 -91.000 HIS 58 0.900 32.641 -28.265 -41.668 -99.200 -91.000 HIS 59 0.900 31.840 -23.817 -40.096 -99.200 -91.000 PHE 76 1.000 24.178 -12.174 -40.266 -99.200 -91.000 TYR 90 0.840 22.187 -3.868 -49.631 -99.200 -91.000 TYR 91 0.840 27.061 -5.430 -47.053 -99.200 -91.000 PHE 105 1.000 36.781 -14.775 -47.002 -99.200 -91.000 PHE 121 1.000 29.712 -4.719 -35.260 -99.200 -91.000 TYR 123 0.840 26.876 -8.089 -40.549 -99.200 -91.000 PHE 125 1.000 25.950 -10.746 -45.893 -99.200 -91.000 PHE 126 1.000 27.420 -19.834 -45.112 -99.200 -91.000 PHE 127 1.000 22.774 -22.498 -51.337 -99.200 -91.000 HIS 131 0.900 23.650 -30.075 -46.897 -99.200 -91.000 HIS 136 0.900 17.271 -34.862 -36.328 -99.200 -91.000 TYR 139 0.840 16.983 -37.726 -28.425 -99.200 -91.000 TYR 142 0.840 19.750 -33.710 -25.229 -99.200 -91.000 HIS 152 0.900 20.600 -14.079 -29.665 -99.200 -91.000 PHE 153 1.000 26.111 -14.184 -35.614 -99.200 -91.000 TYR 166 0.840 24.077 -2.226 -42.303 -99.200 -91.000 PHE 172 1.000 19.494 -9.060 -40.471 -99.200 -91.000 TYR 186 0.840 18.743 4.346 -23.455 -99.200 -91.000 TRP 189 1.040 16.839 -8.025 -28.683 -99.200 -91.000 TRP6 189 1.020 16.826 -6.111 -27.291 -99.200 -91.000 HIS 191 0.900 12.049 -12.008 -37.968 -99.200 -91.000 HIS 197 0.900 17.748 -11.834 -30.545 -99.200 -91.000 HIS 210 0.900 26.708 -7.635 -24.706 -99.200 -91.000 HIS 211 0.900 24.678 -11.515 -26.396 -99.200 -91.000 PHE 214 1.000 26.447 -21.749 -29.983 -99.200 -91.000 HIS 217 0.900 16.224 -30.155 -27.586 -99.200 -91.000 HIS 220 0.900 15.720 -30.067 -18.549 -99.200 -91.000 HIS 245 0.900 17.320 -12.073 -21.913 -99.200 -91.000 PHE 251 1.000 15.619 -20.113 -17.388 -99.200 -91.000 TYR 252 0.840 18.843 -13.700 -18.795 -99.200 -91.000 TYR 254 0.840 23.422 -12.620 -21.410 -99.200 -91.000 HIS 261 0.900 36.215 -13.926 -28.051 -99.200 -91.000 TYR 266 0.840 17.115 -16.390 -27.040 -99.200 -91.000 TYR 270 0.840 8.093 -12.943 -29.196 -99.200 -91.000 TYR 271 0.840 5.527 -17.276 -36.745 -99.200 -91.000 TRP 282 1.040 10.241 -4.579 -23.577 -99.200 -91.000 TRP6 282 1.020 9.501 -5.697 -21.632 -99.200 -91.000 HIS 285 0.900 15.015 5.628 -16.742 -99.200 -91.000 TRP 292 1.040 8.623 -11.620 -16.590 -99.200 -91.000 TRP6 292 1.020 7.413 -9.773 -17.488 -99.200 -91.000 TRP 293 1.040 12.101 -14.217 -13.315 -99.200 -91.000 TRP6 293 1.020 13.752 -15.896 -13.475 -99.200 -91.000 TRP 301 1.040 24.833 -8.619 -20.517 -99.200 -91.000 TRP6 301 1.020 23.468 -7.313 -21.950 -99.200 -91.000 TYR 302 0.840 23.646 -2.322 -18.813 -99.200 -91.000 PHE 336 1.000 13.882 6.637 -13.244 -99.200 -91.000 PHE 338 1.000 9.295 1.756 -14.875 -99.200 -91.000 TYR 348 0.840 14.993 -1.642 -7.058 -99.200 -91.000 HIS 349 0.900 14.474 6.721 -7.509 -99.200 -91.000 PHE 356 1.000 23.549 -7.550 -4.544 -99.200 -91.000