============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 11 1.000 15.375 -2.160 13.915 -99.200 -91.000 PHE 13 1.000 3.795 -4.565 13.144 -99.200 -91.000 PHE 32 1.000 5.044 11.847 -0.422 -99.200 -91.000 TYR 41 0.840 12.800 10.552 -20.863 -99.200 -91.000 HIS 52 0.900 21.607 21.497 6.079 -99.200 -91.000 TRP 55 1.040 18.837 12.474 -4.953 -99.200 -91.000 TRP6 55 1.020 17.252 11.962 -6.632 -99.200 -91.000 HIS 58 0.900 19.998 22.493 -11.773 -99.200 -91.000 TYR 62 0.840 19.850 11.925 -10.790 -99.200 -91.000 TYR 64 0.840 21.740 14.434 -1.363 -99.200 -91.000 TRP 75 1.040 14.516 20.007 1.040 -99.200 -91.000 TRP6 75 1.020 12.984 19.179 -0.561 -99.200 -91.000 PHE 82 1.000 10.307 10.364 8.906 -99.200 -91.000 HIS 83 0.900 17.974 11.507 15.831 -99.200 -91.000 TYR 95 0.840 27.046 0.290 8.370 -99.200 -91.000 PHE 98 1.000 23.248 7.058 8.622 -99.200 -91.000 TYR 108 0.840 8.671 3.044 -4.599 -99.200 -91.000 HIS 117 0.900 18.629 4.036 -7.513 -99.200 -91.000 PHE 140 1.000 16.640 -3.139 -2.206 -99.200 -91.000 PHE 142 1.000 22.147 -4.490 -2.070 -99.200 -91.000 HIS 158 0.900 3.739 -1.472 7.724 -99.200 -91.000 TRP 164 1.040 22.768 0.208 0.132 -99.200 -91.000 TRP6 164 1.020 20.408 0.366 0.150 -99.200 -91.000 PHE 171 1.000 27.811 -4.304 -3.580 -99.200 -91.000 TYR 172 0.840 24.811 0.347 -10.977 -99.200 -91.000 HIS 173 0.900 20.238 1.132 -4.528 -99.200 -91.000 PHE 182 1.000 -6.614 -1.603 2.471 -99.200 -91.000 HIS 183 0.900 0.078 -2.056 5.260 -99.200 -91.000 TYR 191 0.840 3.392 6.822 2.039 -99.200 -91.000 PHE 195 1.000 15.694 7.957 8.072 -99.200 -91.000