============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 27 0.840 9.639 32.380 16.298 -99.200 -91.000 PHE 29 1.000 15.662 29.900 17.943 -99.200 -91.000 TYR 32 0.840 7.693 29.219 12.601 -99.200 -91.000 PHE 45 1.000 16.904 43.458 2.037 -99.200 -91.000 TRP 47 1.040 19.537 32.874 2.025 -99.200 -91.000 TRP6 47 1.020 20.551 30.817 1.446 -99.200 -91.000 TRP 50 1.040 19.312 26.655 5.221 -99.200 -91.000 TRP6 50 1.020 17.974 25.115 6.439 -99.200 -91.000 PHE 54 1.000 14.480 18.530 15.246 -99.200 -91.000 TYR 60 0.840 28.363 28.543 6.980 -99.200 -91.000 PHE 64 1.000 27.879 35.721 2.331 -99.200 -91.000 PHE 68 1.000 30.934 35.779 6.146 -99.200 -91.000 PHE 70 1.000 25.496 31.605 8.569 -99.200 -91.000 TYR 80 0.840 24.827 33.761 20.011 -99.200 -91.000 TYR 93 0.840 26.614 41.408 7.828 -99.200 -91.000 PHE 94 1.000 18.472 43.902 7.594 -99.200 -91.000 PHE 95 1.000 21.170 36.848 13.300 -99.200 -91.000 TYR 101 0.840 6.328 37.995 11.691 -99.200 -91.000 TRP 102 1.040 12.659 40.222 6.748 -99.200 -91.000 TRP6 102 1.020 14.388 40.726 5.230 -99.200 -91.000 TYR 121 0.840 27.904 72.242 15.987 -99.200 -91.000 TYR 144 0.840 27.302 60.513 12.373 -99.200 -91.000 PHE 145 1.000 34.369 55.849 10.234 -99.200 -91.000 TRP 153 1.040 13.610 66.149 17.488 -99.200 -91.000 TRP6 153 1.020 14.714 68.222 17.747 -99.200 -91.000 HIS 163 0.900 9.487 65.755 8.018 -99.200 -91.000 PHE 165 1.000 15.422 66.020 6.470 -99.200 -91.000 TYR 174 0.840 29.076 57.940 7.333 -99.200 -91.000 TRP 187 1.040 10.953 76.202 21.631 -99.200 -91.000 TRP6 187 1.020 12.200 77.861 20.500 -99.200 -91.000 HIS 198 0.900 29.504 57.764 16.692 -99.200 -91.000