============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 3 1.000 0.418 11.474 25.914 -99.200 -91.000 PHE 4 1.000 -4.208 11.314 27.484 -99.200 -91.000 PHE 22 1.000 3.232 12.185 9.640 -99.200 -91.000 HIS 27 0.900 -7.867 7.716 20.208 -99.200 -91.000 TRP 33 1.040 -0.821 6.435 26.638 -99.200 -91.000 TRP6 33 1.020 0.466 5.495 24.908 -99.200 -91.000 PHE 34 1.000 -5.308 1.374 20.195 -99.200 -91.000 PHE 38 1.000 2.603 4.018 8.692 -99.200 -91.000 PHE 48 1.000 4.998 7.255 6.027 -99.200 -91.000 PHE 52 1.000 8.782 3.686 5.414 -99.200 -91.000 PHE 53 1.000 4.454 1.729 3.636 -99.200 -91.000 PHE 64 1.000 13.185 0.696 28.797 -99.200 -91.000 HIS 74 0.900 24.159 6.989 15.198 -99.200 -91.000 TRP 78 1.040 17.831 2.554 7.396 -99.200 -91.000 TRP6 78 1.020 19.738 1.168 7.261 -99.200 -91.000 TYR 81 0.840 5.745 7.181 11.682 -99.200 -91.000 TRP 94 1.040 15.593 14.329 13.285 -99.200 -91.000 TRP6 94 1.020 14.059 15.219 14.868 -99.200 -91.000 PHE 103 1.000 26.904 18.839 4.649 -99.200 -91.000 TYR 107 0.840 11.982 20.737 13.737 -99.200 -91.000 PHE 118 1.000 9.668 9.768 5.688 -99.200 -91.000 PHE 127 1.000 17.005 8.366 21.299 -99.200 -91.000 PHE 133 1.000 11.152 4.070 33.000 -99.200 -91.000 TYR 136 0.840 14.002 6.816 18.846 -99.200 -91.000 TYR 138 0.840 14.569 2.972 14.495 -99.200 -91.000 TYR 143 0.840 14.361 -6.257 4.884 -99.200 -91.000 TRP 144 1.040 22.061 -2.861 11.283 -99.200 -91.000 TRP6 144 1.020 23.055 -4.806 12.190 -99.200 -91.000 TYR 152 0.840 24.587 2.985 9.313 -99.200 -91.000 PHE 154 1.000 28.109 6.679 11.702 -99.200 -91.000 TYR 157 0.840 27.633 14.345 22.066 -99.200 -91.000 TRP 166 1.040 22.902 17.737 21.941 -99.200 -91.000 TRP6 166 1.020 21.442 16.140 21.043 -99.200 -91.000 HIS 181 0.900 29.535 8.622 15.081 -99.200 -91.000 PHE 183 1.000 33.895 18.332 16.433 -99.200 -91.000