============================================================================= 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 22 0.900 -7.762 11.168 11.292 -99.200 -91.000 PHE 24 1.000 -0.912 12.844 19.375 -99.200 -91.000 PHE 29 1.000 0.437 16.256 11.460 -99.200 -91.000 PHE 46 1.000 -2.248 13.702 1.570 -99.200 -91.000 TYR 59 0.840 1.313 6.234 20.765 -99.200 -91.000 TRP 71 1.040 2.156 5.779 34.403 -99.200 -91.000 TRP6 71 1.020 2.250 4.489 36.386 -99.200 -91.000 HIS 93 0.900 -6.723 21.938 48.130 -99.200 -91.000 TYR 95 0.840 -7.150 14.316 39.201 -99.200 -91.000 TYR 96 0.840 -11.390 20.498 37.541 -99.200 -91.000 PHE 99 1.000 -3.927 14.127 28.818 -99.200 -91.000 TYR 101 0.840 -1.207 19.446 20.297 -99.200 -91.000 HIS 103 0.900 -11.751 14.396 22.932 -99.200 -91.000 PHE 124 1.000 1.874 21.477 39.240 -99.200 -91.000 TYR 127 0.840 5.217 19.024 28.704 -99.200 -91.000 TYR 130 0.840 7.505 28.541 29.172 -99.200 -91.000 TYR 143 0.840 -5.374 35.515 25.068 -99.200 -91.000 TYR 145 0.840 -12.842 27.942 27.396 -99.200 -91.000 TYR 146 0.840 -11.391 31.633 30.666 -99.200 -91.000 TRP 157 1.040 -8.167 30.843 35.052 -99.200 -91.000 TRP6 157 1.020 -7.431 28.657 34.511 -99.200 -91.000 TRP 163 1.040 7.085 21.911 37.710 -99.200 -91.000 TRP6 163 1.020 7.279 19.600 38.179 -99.200 -91.000 HIS 166 0.900 9.520 20.874 44.558 -99.200 -91.000 HIS 167 0.900 12.168 20.702 48.187 -99.200 -91.000 PHE 173 1.000 13.794 13.518 37.002 -99.200 -91.000 HIS 176 0.900 12.046 6.536 40.166 -99.200 -91.000 HIS 183 0.900 17.226 -2.935 39.127 -99.200 -91.000 PHE 184 1.000 23.820 -0.254 34.347 -99.200 -91.000 PHE 196 1.000 21.330 13.130 33.908 -99.200 -91.000 HIS 199 0.900 10.507 15.949 21.588 -99.200 -91.000 TYR 212 0.840 13.166 21.234 26.485 -99.200 -91.000 TYR 229 0.840 29.002 16.958 40.555 -99.200 -91.000 TYR 233 0.840 26.792 15.214 34.061 -99.200 -91.000 TRP 237 1.040 19.889 17.938 23.658 -99.200 -91.000 TRP6 237 1.020 18.640 19.163 25.249 -99.200 -91.000 TRP 246 1.040 14.850 18.567 14.601 -99.200 -91.000 TRP6 246 1.020 13.001 18.244 16.042 -99.200 -91.000 PHE 273 1.000 5.879 13.457 29.427 -99.200 -91.000 HIS 277 0.900 7.120 10.448 27.439 -99.200 -91.000 TYR 282 0.840 8.716 2.977 18.509 -99.200 -91.000 TYR 288 0.840 16.743 6.299 20.071 -99.200 -91.000 PHE 313 1.000 6.017 13.677 39.765 -99.200 -91.000 HIS 322 0.900 1.073 24.482 51.658 -99.200 -91.000 HIS 324 0.900 0.923 29.295 42.104 -99.200 -91.000 PHE 353 1.000 -6.290 34.424 31.109 -99.200 -91.000 PHE 354 1.000 -2.068 32.053 32.877 -99.200 -91.000