============================================================================= 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 25 1.000 -24.854 18.140 26.363 -99.200 -91.000 TYR 27 0.840 -17.255 19.031 31.846 -99.200 -91.000 PHE 29 1.000 -15.634 22.847 26.304 -99.200 -91.000 HIS 32 0.900 -12.679 19.297 34.581 -99.200 -91.000 HIS 35 0.900 -6.491 15.176 27.506 -99.200 -91.000 TRP 36 1.040 -10.652 15.113 20.043 -99.200 -91.000 TRP6 36 1.020 -12.771 14.196 19.479 -99.200 -91.000 TRP 47 1.040 -3.391 12.263 24.641 -99.200 -91.000 TRP6 47 1.020 -1.604 13.679 23.987 -99.200 -91.000 HIS 55 0.900 -5.554 28.704 30.396 -99.200 -91.000 TYR 60 0.840 -2.563 19.147 17.539 -99.200 -91.000 PHE 64 1.000 -2.452 9.963 15.994 -99.200 -91.000 TYR 80 0.840 -16.493 21.588 16.927 -99.200 -91.000 TRP 83 1.040 -8.371 12.787 10.396 -99.200 -91.000 TRP6 83 1.020 -10.173 12.409 11.886 -99.200 -91.000 TYR 93 0.840 -10.574 8.479 14.799 -99.200 -91.000 PHE 94 1.000 -13.811 5.140 22.264 -99.200 -91.000 PHE 100 1.000 -6.606 22.905 32.852 -99.200 -91.000 TYR 101 0.840 1.884 20.784 31.058 -99.200 -91.000 TRP 106 1.040 -4.030 12.802 33.977 -99.200 -91.000 TRP6 106 1.020 -4.048 14.876 32.816 -99.200 -91.000 PHE 107 1.000 -6.867 10.458 29.047 -99.200 -91.000 PHE 109 1.000 -17.278 11.819 34.662 -99.200 -91.000 TRP 110 1.040 -12.860 7.427 28.813 -99.200 -91.000 TRP6 110 1.020 -11.272 6.935 27.139 -99.200 -91.000 PHE 129 1.000 -26.418 -14.971 -2.768 -99.200 -91.000 TYR 152 0.840 -22.749 -5.904 4.858 -99.200 -91.000 PHE 153 1.000 -18.298 1.110 2.216 -99.200 -91.000 TRP 161 1.040 -31.915 -16.219 12.048 -99.200 -91.000 TRP6 161 1.020 -32.079 -17.591 10.126 -99.200 -91.000 HIS 171 0.900 -23.776 -19.070 18.145 -99.200 -91.000 PHE 173 1.000 -20.533 -17.244 12.972 -99.200 -91.000 TYR 183 0.840 -17.360 -3.899 5.840 -99.200 -91.000 TYR 201 0.840 -36.534 -23.154 11.422 -99.200 -91.000 HIS 207 0.900 -26.246 -1.955 3.864 -99.200 -91.000