============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. HIS 8 0.900 27.613 53.741 -15.609 -99.200 -91.000 HIS 16 0.900 24.333 39.153 -14.595 -99.200 -91.000 TRP 18 1.040 32.239 36.909 -9.543 -99.200 -91.000 TRP6 18 1.020 32.515 37.744 -7.339 -99.200 -91.000 TYR 21 0.840 33.893 31.052 -14.831 -99.200 -91.000 TYR 22 0.840 32.484 30.188 -10.033 -99.200 -91.000 PHE 25 1.000 33.010 25.535 -13.891 -99.200 -91.000 TYR 34 0.840 19.625 10.881 0.505 -99.200 -91.000 HIS 58 0.900 17.653 40.060 -5.442 -99.200 -91.000 TRP 62 1.040 16.408 36.707 -6.564 -99.200 -91.000 TRP6 62 1.020 15.111 37.659 -4.815 -99.200 -91.000 PHE 66 1.000 16.579 26.514 -0.786 -99.200 -91.000 PHE 76 1.000 23.161 22.776 18.757 -99.200 -91.000 TYR 86 0.840 17.841 17.757 28.685 -99.200 -91.000 PHE 99 1.000 26.120 8.381 16.748 -99.200 -91.000 TYR 119 0.840 -0.231 20.633 16.444 -99.200 -91.000 PHE 124 1.000 10.508 25.703 21.392 -99.200 -91.000 TYR 126 0.840 6.319 23.975 11.897 -99.200 -91.000 HIS 139 0.900 7.548 20.157 -2.179 -99.200 -91.000 PHE 143 1.000 6.231 13.880 6.317 -99.200 -91.000 TRP 147 1.040 5.915 8.376 6.755 -99.200 -91.000 TRP6 147 1.020 6.537 8.874 8.983 -99.200 -91.000 HIS 151 0.900 13.273 1.438 3.887 -99.200 -91.000 TYR 158 0.840 12.632 1.517 15.672 -99.200 -91.000 TYR 159 0.840 23.468 2.667 17.655 -99.200 -91.000 PHE 165 1.000 23.529 8.775 23.873 -99.200 -91.000 TYR 177 0.840 16.200 14.238 10.409 -99.200 -91.000 HIS 198 0.900 25.020 41.747 12.574 -99.200 -91.000 TYR 201 0.840 20.237 43.565 17.723 -99.200 -91.000 HIS 202 0.900 15.283 39.798 12.723 -99.200 -91.000 HIS 206 0.900 16.752 47.696 14.665 -99.200 -91.000 TYR 226 0.840 26.028 16.718 4.577 -99.200 -91.000 TYR 232 0.840 32.795 24.322 1.325 -99.200 -91.000 PHE 235 1.000 42.300 25.148 0.343 -99.200 -91.000 PHE 258 1.000 28.791 42.154 1.056 -99.200 -91.000 TYR 267 0.840 17.754 25.965 -5.249 -99.200 -91.000 TYR 274 0.840 34.223 16.148 -0.830 -99.200 -91.000 HIS 285 0.900 35.309 34.244 -8.245 -99.200 -91.000 TRP 289 1.040 33.450 40.763 -2.929 -99.200 -91.000 TRP6 289 1.020 31.256 39.912 -3.019 -99.200 -91.000 PHE 294 1.000 39.812 30.070 10.057 -99.200 -91.000