============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. HIS 6 0.900 46.942 11.972 -13.747 -99.200 -91.000 HIS 18 0.900 35.604 1.615 -8.575 -99.200 -91.000 HIS 20 0.900 33.725 -2.574 -12.231 -99.200 -91.000 PHE 33 1.000 41.185 3.653 -7.414 -99.200 -91.000 PHE 56 1.000 44.219 -0.197 4.130 -99.200 -91.000 HIS 68 0.900 39.129 -1.544 -17.331 -99.200 -91.000 TYR 72 0.840 51.309 3.596 -15.654 -99.200 -91.000 HIS 87 0.900 47.504 2.299 10.685 -99.200 -91.000 PHE 91 1.000 47.394 -0.897 -3.497 -99.200 -91.000 HIS 92 0.900 49.305 -9.816 -1.534 -99.200 -91.000 PHE 116 1.000 49.711 -0.476 -7.724 -99.200 -91.000 PHE 124 1.000 46.908 -8.988 -8.958 -99.200 -91.000 TYR 126 0.840 43.234 -2.554 -0.453 -99.200 -91.000 HIS 127 0.900 49.222 -7.358 3.412 -99.200 -91.000 TRP 136 1.040 47.379 -5.927 16.589 -99.200 -91.000 TRP6 136 1.020 48.172 -3.797 17.279 -99.200 -91.000 HIS 137 0.900 49.109 -2.090 12.154 -99.200 -91.000 HIS 163 0.900 27.666 -11.150 -19.219 -99.200 -91.000 TYR 164 0.840 31.968 -8.342 -13.348 -99.200 -91.000 TYR 168 0.840 26.146 -8.350 -4.535 -99.200 -91.000 PHE 173 1.000 38.544 -8.698 7.023 -99.200 -91.000 TYR 176 0.840 43.659 -15.337 14.732 -99.200 -91.000 TYR 185 0.840 35.222 -14.388 22.778 -99.200 -91.000 TYR 188 0.840 42.097 -6.343 25.225 -99.200 -91.000 TYR 195 0.840 51.574 -6.182 19.853 -99.200 -91.000 HIS 209 0.900 34.403 -13.971 17.732 -99.200 -91.000 PHE 212 1.000 31.777 -15.016 4.371 -99.200 -91.000 HIS 237 0.900 35.344 -15.547 0.270 -99.200 -91.000 HIS 247 0.900 28.804 -25.263 -1.391 -99.200 -91.000 HIS 252 0.900 26.571 -26.407 -9.028 -99.200 -91.000 TRP 255 1.040 32.709 -20.085 -17.215 -99.200 -91.000 TRP6 255 1.020 34.112 -21.828 -18.013 -99.200 -91.000 TRP 257 1.040 39.768 -16.593 -13.918 -99.200 -91.000 TRP6 257 1.020 37.579 -15.864 -14.462 -99.200 -91.000 PHE 262 1.000 39.868 -11.561 -13.157 -99.200 -91.000 TRP 273 1.040 35.196 -20.337 -5.119 -99.200 -91.000 TRP6 273 1.020 32.903 -20.891 -5.445 -99.200 -91.000 PHE 274 1.000 42.682 -23.795 -0.086 -99.200 -91.000 TYR 285 0.840 25.086 -20.043 -9.720 -99.200 -91.000 PHE 287 1.000 22.432 -16.272 -7.815 -99.200 -91.000 TYR 293 0.840 20.589 -19.574 -4.716 -99.200 -91.000 TYR 295 0.840 30.346 -16.574 -1.239 -99.200 -91.000 HIS 298 0.900 30.602 -27.325 2.656 -99.200 -91.000 PHE 304 1.000 25.759 -23.394 8.737 -99.200 -91.000 HIS 311 0.900 21.355 -15.927 5.280 -99.200 -91.000 TRP 318 1.040 11.161 -24.512 -8.280 -99.200 -91.000 TRP6 318 1.020 13.030 -24.447 -6.830 -99.200 -91.000