============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TYR 11 0.840 54.581 -12.081 29.908 -99.200 -91.000 TYR 25 0.840 49.600 6.914 25.398 -99.200 -91.000 TYR 42 0.840 54.757 18.278 17.219 -99.200 -91.000 TRP 51 1.040 60.600 10.426 21.033 -99.200 -91.000 TRP6 51 1.020 58.499 10.400 22.114 -99.200 -91.000 PHE 65 1.000 54.343 6.221 14.322 -99.200 -91.000 TYR 80 0.840 34.928 4.669 14.195 -99.200 -91.000 PHE 85 1.000 48.651 2.413 3.531 -99.200 -91.000 HIS 97 0.900 40.541 5.240 11.987 -99.200 -91.000 TYR 100 0.840 43.466 5.359 13.989 -99.200 -91.000 TYR 101 0.840 46.038 7.879 3.661 -99.200 -91.000 TRP 104 1.040 50.978 6.741 6.192 -99.200 -91.000 TRP6 104 1.020 53.236 6.289 6.686 -99.200 -91.000 TYR 122 0.840 73.740 1.727 13.764 -99.200 -91.000 TYR 125 0.840 71.587 -2.516 14.885 -99.200 -91.000 HIS 132 0.900 47.464 1.903 24.579 -99.200 -91.000 TYR 150 0.840 63.721 0.193 4.704 -99.200 -91.000 TYR 156 0.840 57.186 -7.109 18.621 -99.200 -91.000 PHE 158 1.000 52.088 -3.922 22.877 -99.200 -91.000 PHE 168 1.000 46.445 -1.802 6.109 -99.200 -91.000 TYR 171 0.840 50.718 -5.055 1.034 -99.200 -91.000 PHE 176 1.000 54.532 -6.626 8.568 -99.200 -91.000 TYR 186 0.840 49.827 -6.990 12.591 -99.200 -91.000 PHE 187 1.000 55.457 -11.148 17.054 -99.200 -91.000 HIS 191 0.900 44.321 -6.226 29.919 -99.200 -91.000 TYR 206 0.840 37.243 0.553 9.379 -99.200 -91.000 HIS 208 0.900 41.457 -6.053 14.819 -99.200 -91.000 TYR 213 0.840 51.146 -13.522 19.552 -99.200 -91.000 TRP 214 1.040 42.056 -12.158 25.009 -99.200 -91.000 TRP6 214 1.020 40.738 -13.976 25.710 -99.200 -91.000 TYR 219 0.840 50.306 -8.197 34.371 -99.200 -91.000 PHE 225 1.000 43.640 -18.275 26.560 -99.200 -91.000 HIS 247 0.900 42.668 1.052 24.369 -99.200 -91.000 TYR 250 0.840 46.887 -3.806 25.943 -99.200 -91.000 PHE 251 1.000 51.670 -7.859 28.115 -99.200 -91.000 TRP 260 1.040 57.328 2.277 32.457 -99.200 -91.000 TRP6 260 1.020 55.144 2.988 32.037 -99.200 -91.000