============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 7 1.000 15.450 18.863 25.961 -99.200 -91.000 PHE 22 1.000 19.471 19.293 11.239 -99.200 -91.000 PHE 27 1.000 12.053 10.217 17.273 -99.200 -91.000 TRP 31 1.040 14.299 3.625 15.694 -99.200 -91.000 TRP6 31 1.020 12.053 4.338 15.847 -99.200 -91.000 PHE 37 1.000 16.426 8.080 20.550 -99.200 -91.000 PHE 62 1.000 16.905 22.324 23.506 -99.200 -91.000 TYR 65 0.840 26.915 11.946 24.269 -99.200 -91.000 PHE 73 1.000 18.880 24.355 12.748 -99.200 -91.000 PHE 79 1.000 28.508 15.027 20.747 -99.200 -91.000 TYR 89 0.840 26.902 3.440 20.351 -99.200 -91.000 HIS 91 0.900 30.743 5.673 8.521 -99.200 -91.000 TYR 96 0.840 29.359 6.888 -3.942 -99.200 -91.000 PHE 100 1.000 24.660 14.230 3.470 -99.200 -91.000 PHE 107 1.000 11.846 21.383 2.381 -99.200 -91.000 PHE 110 1.000 7.186 21.799 -0.414 -99.200 -91.000 TYR 113 0.840 4.508 23.205 -6.292 -99.200 -91.000 PHE 125 1.000 7.524 29.735 -8.619 -99.200 -91.000 PHE 133 1.000 9.465 15.136 -6.199 -99.200 -91.000 TYR 139 0.840 22.265 10.017 -6.236 -99.200 -91.000 PHE 163 1.000 16.643 2.239 2.519 -99.200 -91.000 TYR 190 0.840 -1.988 23.876 2.313 -99.200 -91.000 PHE 193 1.000 4.138 17.561 -7.491 -99.200 -91.000 PHE 199 1.000 9.363 12.132 -12.093 -99.200 -91.000 TRP 203 1.040 5.830 7.182 -6.894 -99.200 -91.000 TRP6 203 1.020 4.612 7.330 -4.876 -99.200 -91.000 TYR 205 0.840 14.782 7.345 -0.933 -99.200 -91.000 HIS 207 0.900 5.713 2.179 -3.025 -99.200 -91.000 TYR 210 0.840 6.511 7.412 3.363 -99.200 -91.000 PHE 215 1.000 10.108 8.637 6.025 -99.200 -91.000 HIS 217 0.900 6.295 3.353 13.698 -99.200 -91.000 TYR 229 0.840 4.914 24.194 3.981 -99.200 -91.000