============================================================================= 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 24.029 -54.775 -0.899 -99.200 -91.000 PHE 31 1.000 20.262 -52.159 -19.144 -99.200 -91.000 TYR 32 0.840 22.385 -53.033 -14.579 -99.200 -91.000 HIS 39 0.900 27.974 -41.674 -11.255 -99.200 -91.000 TYR 42 0.840 37.164 -53.439 -6.253 -99.200 -91.000 TYR 49 0.840 31.346 -54.815 -5.084 -99.200 -91.000 PHE 53 1.000 24.868 -36.562 -9.536 -99.200 -91.000 PHE 56 1.000 25.666 -42.149 3.682 -99.200 -91.000 HIS 58 0.900 31.849 -50.286 -2.014 -99.200 -91.000 HIS 59 0.900 27.703 -52.362 -2.332 -99.200 -91.000 PHE 76 1.000 14.838 -54.712 2.620 -99.200 -91.000 TYR 90 0.840 11.113 -60.315 13.465 -99.200 -91.000 TYR 91 0.840 14.200 -62.445 8.891 -99.200 -91.000 PHE 105 1.000 26.646 -63.107 3.749 -99.200 -91.000 PHE 121 1.000 10.988 -62.904 -2.735 -99.200 -91.000 TYR 123 0.840 13.546 -59.440 2.619 -99.200 -91.000 PHE 125 1.000 16.916 -57.810 7.411 -99.200 -91.000 PHE 126 1.000 23.978 -52.678 4.568 -99.200 -91.000 PHE 127 1.000 25.588 -48.579 11.539 -99.200 -91.000 HIS 131 0.900 29.945 -43.392 5.835 -99.200 -91.000 HIS 136 0.900 25.693 -33.880 -2.361 -99.200 -91.000 TYR 139 0.840 24.664 -30.452 -9.966 -99.200 -91.000 TYR 142 0.840 22.127 -34.556 -13.305 -99.200 -91.000 HIS 152 0.900 10.242 -49.050 -6.078 -99.200 -91.000 PHE 153 1.000 15.726 -53.937 -2.613 -99.200 -91.000 TYR 166 0.840 8.397 -61.623 6.317 -99.200 -91.000 PHE 172 1.000 9.963 -53.501 5.071 -99.200 -91.000 TYR 186 0.840 -6.401 -59.335 -7.980 -99.200 -91.000 TRP 189 1.040 3.246 -50.393 -4.549 -99.200 -91.000 TRP6 189 1.020 1.354 -51.440 -5.522 -99.200 -91.000 HIS 191 0.900 6.748 -45.724 5.047 -99.200 -91.000 HIS 197 0.900 7.232 -48.799 -3.831 -99.200 -91.000 HIS 210 0.900 7.353 -57.059 -11.724 -99.200 -91.000 HIS 211 0.900 9.566 -53.313 -10.163 -99.200 -91.000 PHE 214 1.000 19.247 -48.213 -9.298 -99.200 -91.000 HIS 217 0.900 18.362 -34.913 -9.138 -99.200 -91.000 HIS 220 0.900 14.632 -33.059 -17.263 -99.200 -91.000 HIS 245 0.900 3.949 -46.838 -11.596 -99.200 -91.000 PHE 251 1.000 7.014 -39.518 -16.477 -99.200 -91.000 TYR 252 0.840 4.771 -46.313 -15.318 -99.200 -91.000 TYR 254 0.840 7.704 -50.794 -14.457 -99.200 -91.000 HIS 261 0.900 18.658 -60.233 -13.285 -99.200 -91.000 TYR 266 0.840 8.760 -44.692 -7.664 -99.200 -91.000 TYR 270 0.840 1.751 -40.857 -1.723 -99.200 -91.000 TYR 271 0.840 6.187 -37.357 5.400 -99.200 -91.000 TRP 282 1.040 -5.043 -47.140 -6.215 -99.200 -91.000 TRP6 282 1.020 -5.377 -45.486 -7.881 -99.200 -91.000 HIS 285 0.900 -11.977 -56.359 -12.228 -99.200 -91.000 TRP 292 1.040 -3.510 -40.061 -13.180 -99.200 -91.000 TRP6 292 1.020 -5.218 -40.586 -11.612 -99.200 -91.000 TRP 293 1.040 -0.781 -40.203 -17.842 -99.200 -91.000 TRP6 293 1.020 1.449 -40.260 -18.619 -99.200 -91.000 TRP 301 1.040 5.351 -54.355 -15.179 -99.200 -91.000 TRP6 301 1.020 4.093 -54.574 -13.200 -99.200 -91.000 TYR 302 0.840 -0.405 -57.494 -15.134 -99.200 -91.000 PHE 336 1.000 -15.437 -54.219 -16.812 -99.200 -91.000 PHE 338 1.000 -13.396 -49.403 -12.651 -99.200 -91.000 TYR 348 0.840 -10.572 -49.872 -22.439 -99.200 -91.000 HIS 349 0.900 -17.135 -55.417 -21.289 -99.200 -91.000 PHE 356 1.000 -2.295 -51.420 -28.978 -99.200 -91.000