============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 12 1.040 -3.584 39.883 42.511 -99.200 -91.000 TRP6 12 1.020 -4.536 40.024 44.664 -99.200 -91.000 TYR 20 0.840 1.065 21.092 28.638 -99.200 -91.000 TRP 26 1.040 8.658 25.939 27.588 -99.200 -91.000 TRP6 26 1.020 8.913 24.259 29.245 -99.200 -91.000 HIS 28 0.900 -1.552 29.085 32.818 -99.200 -91.000 TRP 39 1.040 10.593 23.996 48.613 -99.200 -91.000 TRP6 39 1.020 9.942 21.800 48.101 -99.200 -91.000 HIS 45 0.900 -6.675 19.862 39.455 -99.200 -91.000 PHE 53 1.000 3.935 19.372 34.978 -99.200 -91.000 HIS 60 0.900 -0.249 41.763 33.943 -99.200 -91.000 TYR 71 0.840 10.536 32.658 31.025 -99.200 -91.000 HIS 80 0.900 -1.737 14.884 51.733 -99.200 -91.000 TYR 82 0.840 -4.227 9.504 53.703 -99.200 -91.000 TRP 83 1.040 -4.069 13.735 43.576 -99.200 -91.000 TRP6 83 1.020 -6.083 14.927 43.399 -99.200 -91.000 TYR 91 0.840 -6.592 13.899 51.922 -99.200 -91.000 TYR 107 0.840 7.375 44.000 38.365 -99.200 -91.000 TYR 127 0.840 -10.224 41.137 44.735 -99.200 -91.000 TRP 131 1.040 -1.912 34.601 33.141 -99.200 -91.000 TRP6 131 1.020 -0.486 34.179 34.959 -99.200 -91.000 TYR 148 0.840 -15.210 40.953 46.692 -99.200 -91.000 TYR 154 0.840 -18.474 21.418 55.930 -99.200 -91.000 TYR 160 0.840 -24.923 27.493 48.219 -99.200 -91.000 TRP 161 1.040 -19.658 23.096 45.133 -99.200 -91.000 TRP6 161 1.020 -19.115 21.817 43.236 -99.200 -91.000 HIS 190 0.900 -3.848 36.134 45.736 -99.200 -91.000 TYR 197 0.840 -5.970 41.250 49.539 -99.200 -91.000 HIS 200 0.900 -7.058 32.536 54.633 -99.200 -91.000 PHE 205 1.000 -14.334 20.402 43.756 -99.200 -91.000 PHE 220 1.000 -10.856 28.899 45.413 -99.200 -91.000 TYR 226 0.840 -4.310 19.876 52.900 -99.200 -91.000 TRP 229 1.040 1.878 17.084 53.024 -99.200 -91.000 TRP6 229 1.020 1.862 18.337 51.028 -99.200 -91.000