============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. PHE 18 1.000 -0.819 -14.994 25.970 -99.200 -91.000 HIS 20 0.900 -12.754 -11.648 23.028 -99.200 -91.000 HIS 22 0.900 -11.433 -14.860 18.298 -99.200 -91.000 PHE 35 1.000 -16.152 -6.566 23.593 -99.200 -91.000 HIS 54 0.900 3.364 9.202 37.050 -99.200 -91.000 PHE 58 1.000 -8.958 2.992 26.551 -99.200 -91.000 HIS 70 0.900 -17.804 -13.278 14.342 -99.200 -91.000 TYR 74 0.840 -26.613 -3.483 16.580 -99.200 -91.000 HIS 89 0.900 -8.066 9.007 31.222 -99.200 -91.000 PHE 93 1.000 -14.499 1.116 20.742 -99.200 -91.000 HIS 94 0.900 -8.800 5.032 14.358 -99.200 -91.000 PHE 118 1.000 -18.367 0.370 17.874 -99.200 -91.000 PHE 126 1.000 -12.234 -1.233 11.558 -99.200 -91.000 TYR 128 0.840 -9.390 -0.284 22.306 -99.200 -91.000 HIS 129 0.900 -7.363 7.492 19.210 -99.200 -91.000 TRP 138 1.040 0.161 13.839 28.369 -99.200 -91.000 TRP6 138 1.020 -1.246 14.546 30.113 -99.200 -91.000 HIS 139 0.900 -5.583 11.638 28.162 -99.200 -91.000 TYR 166 0.840 -7.628 -16.350 13.614 -99.200 -91.000 TYR 170 0.840 0.737 -15.399 20.170 -99.200 -91.000 TYR 171 0.840 -3.527 -5.487 20.030 -99.200 -91.000 PHE 177 1.000 5.387 4.340 26.261 -99.200 -91.000 TYR 178 0.840 6.650 10.717 20.796 -99.200 -91.000 TYR 187 0.840 14.778 8.737 28.896 -99.200 -91.000 TYR 190 0.840 8.225 16.263 33.815 -99.200 -91.000 TYR 197 0.840 -0.739 19.020 28.123 -99.200 -91.000 HIS 211 0.900 12.011 4.893 26.370 -99.200 -91.000 PHE 214 1.000 7.034 -4.907 18.478 -99.200 -91.000 HIS 225 0.900 5.529 -13.131 30.412 -99.200 -91.000 HIS 239 0.900 3.009 -4.506 14.746 -99.200 -91.000 HIS 249 0.900 11.509 -9.074 7.920 -99.200 -91.000 HIS 254 0.900 9.049 -15.155 3.667 -99.200 -91.000 TYR 257 0.840 -2.594 -16.410 2.320 -99.200 -91.000 TRP 259 1.040 -6.616 -8.866 4.681 -99.200 -91.000 TRP6 259 1.020 -6.179 -11.004 5.599 -99.200 -91.000 PHE 264 1.000 -9.693 -8.947 8.733 -99.200 -91.000 TRP 275 1.040 2.995 -6.239 7.519 -99.200 -91.000 TRP6 275 1.020 4.252 -8.230 7.674 -99.200 -91.000 PHE 286 1.000 -3.550 -17.644 7.869 -99.200 -91.000 TYR 287 0.840 5.485 -17.659 8.232 -99.200 -91.000 PHE 289 1.000 5.669 -19.145 13.035 -99.200 -91.000 TYR 295 0.840 10.674 -18.351 12.927 -99.200 -91.000 TYR 297 0.840 5.740 -9.123 14.497 -99.200 -91.000 HIS 300 0.900 14.154 -4.917 8.439 -99.200 -91.000 PHE 306 1.000 17.081 -6.234 16.469 -99.200 -91.000 HIS 313 0.900 13.489 -12.417 20.968 -99.200 -91.000 PHE 314 1.000 5.629 -15.455 16.614 -99.200 -91.000 TRP 320 1.040 16.667 -27.217 9.803 -99.200 -91.000 TRP6 320 1.020 16.365 -24.907 10.142 -99.200 -91.000