============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. HIS 8 0.900 16.664 27.569 -28.484 -99.200 -91.000 HIS 12 0.900 28.686 32.471 -28.211 -99.200 -91.000 PHE 15 1.000 30.276 27.153 -16.307 -99.200 -91.000 PHE 17 1.000 26.013 25.133 -11.204 -99.200 -91.000 TYR 20 0.840 18.311 19.067 -8.692 -99.200 -91.000 TRP 33 1.040 24.776 26.445 -6.478 -99.200 -91.000 TRP6 33 1.020 22.899 26.674 -7.897 -99.200 -91.000 TRP 46 1.040 21.585 24.863 -23.013 -99.200 -91.000 TRP6 46 1.020 19.245 25.205 -23.055 -99.200 -91.000 HIS 53 0.900 19.121 24.535 -16.089 -99.200 -91.000 TRP 54 1.040 18.043 29.761 -22.028 -99.200 -91.000 TRP6 54 1.020 19.903 30.267 -23.418 -99.200 -91.000 TYR 66 0.840 13.439 35.124 -9.660 -99.200 -91.000 TYR 69 0.840 3.734 40.148 -13.810 -99.200 -91.000 HIS 71 0.900 8.732 39.270 -22.402 -99.200 -91.000 PHE 72 1.000 12.653 36.080 -18.395 -99.200 -91.000 PHE 78 1.000 10.805 23.537 -7.265 -99.200 -91.000 TYR 87 0.840 6.268 24.446 -7.386 -99.200 -91.000 PHE 89 1.000 3.963 22.263 -3.502 -99.200 -91.000 PHE 102 1.000 -5.818 31.190 -5.351 -99.200 -91.000 PHE 141 1.000 22.879 23.892 14.653 -99.200 -91.000 TYR 145 0.840 18.581 25.407 17.694 -99.200 -91.000 PHE 149 1.000 14.337 27.776 16.773 -99.200 -91.000 PHE 154 1.000 4.410 24.374 8.539 -99.200 -91.000 HIS 167 0.900 5.250 9.980 4.863 -99.200 -91.000 TYR 170 0.840 11.846 9.904 1.713 -99.200 -91.000 PHE 184 1.000 7.776 18.805 -7.326 -99.200 -91.000 TYR 192 0.840 -0.670 18.382 -3.643 -99.200 -91.000 TYR 194 0.840 0.369 14.561 6.798 -99.200 -91.000 PHE 247 1.000 20.645 31.609 6.881 -99.200 -91.000 PHE 250 1.000 24.236 26.026 3.647 -99.200 -91.000 PHE 254 1.000 31.191 33.091 9.152 -99.200 -91.000 HIS 261 0.900 33.297 36.807 11.082 -99.200 -91.000 PHE 283 1.000 27.740 31.207 5.220 -99.200 -91.000 TYR 296 0.840 12.256 39.215 -23.368 -99.200 -91.000 PHE 298 1.000 16.751 38.742 -19.520 -99.200 -91.000 HIS 299 0.900 20.475 41.776 -19.718 -99.200 -91.000 HIS 328 0.900 35.331 40.076 5.105 -99.200 -91.000 PHE 331 1.000 28.673 38.704 11.718 -99.200 -91.000 HIS 338 0.900 19.238 39.657 1.089 -99.200 -91.000 PHE 341 1.000 14.345 35.868 3.657 -99.200 -91.000 HIS 343 0.900 13.958 41.768 -7.350 -99.200 -91.000 HIS 346 0.900 5.316 34.163 -7.612 -99.200 -91.000 HIS 352 0.900 7.951 39.871 7.273 -99.200 -91.000 TRP 365 1.040 25.075 27.685 19.969 -99.200 -91.000 TRP6 365 1.020 24.165 25.518 19.705 -99.200 -91.000 PHE 372 1.000 29.412 27.543 18.310 -99.200 -91.000 HIS 382 0.900 28.304 23.407 2.614 -99.200 -91.000 TRP 397 1.040 29.338 22.486 24.249 -99.200 -91.000 TRP6 397 1.020 27.929 21.742 22.496 -99.200 -91.000