============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 12 1.000 -9.794 4.322 0.838 -99.200 -91.000 PHE 14 1.000 -7.933 0.415 5.651 -99.200 -91.000 TRP 25 1.040 9.621 6.776 2.126 -99.200 -91.000 TRP6 25 1.020 11.288 7.277 0.529 -99.200 -91.000 HIS 41 0.900 8.697 -0.112 -2.448 -99.200 -91.000 TYR 46 0.840 15.008 3.581 2.676 -99.200 -91.000 PHE 51 1.000 10.858 5.281 7.313 -99.200 -91.000 HIS 75 0.900 7.144 -12.708 3.638 -99.200 -91.000 TYR 78 0.840 11.879 -6.496 0.351 -99.200 -91.000 TYR 102 0.840 -7.391 -0.409 15.503 -99.200 -91.000 TRP 123 1.040 -1.982 11.803 1.635 -99.200 -91.000 TRP6 123 1.020 -2.438 9.907 2.972 -99.200 -91.000 TYR 154 0.840 4.816 -5.197 -15.193 -99.200 -91.000 PHE 164 1.000 -3.805 -7.493 -5.790 -99.200 -91.000 TRP 197 1.040 6.601 -4.845 -8.599 -99.200 -91.000 TRP6 197 1.020 7.098 -5.374 -10.849 -99.200 -91.000 TYR 206 0.840 4.631 -2.100 -19.945 -99.200 -91.000 TYR 210 0.840 -1.796 -2.446 -6.783 -99.200 -91.000 PHE 219 1.000 5.819 -10.237 7.585 -99.200 -91.000 TYR 223 0.840 6.811 -12.117 12.749 -99.200 -91.000