============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TRP 14 1.040 17.989 24.299 30.194 -99.200 -91.000 TRP6 14 1.020 17.895 22.012 30.818 -99.200 -91.000 PHE 19 1.000 10.140 37.814 22.552 -99.200 -91.000 TRP 37 1.040 14.193 33.574 42.204 -99.200 -91.000 TRP6 37 1.020 14.757 35.873 42.313 -99.200 -91.000 HIS 43 0.900 25.396 42.021 27.253 -99.200 -91.000 TYR 47 0.840 27.152 48.148 26.999 -99.200 -91.000 TRP 49 1.040 25.784 49.174 22.555 -99.200 -91.000 TRP6 49 1.020 25.772 46.804 22.397 -99.200 -91.000 PHE 53 1.000 15.350 47.416 27.573 -99.200 -91.000 HIS 65 0.900 8.582 23.796 21.929 -99.200 -91.000 TYR 70 0.840 0.228 31.493 22.159 -99.200 -91.000 TYR 84 0.840 15.974 41.074 42.849 -99.200 -91.000 HIS 86 0.900 27.753 40.916 41.307 -99.200 -91.000 TYR 89 0.840 26.679 45.206 33.931 -99.200 -91.000 TRP 91 1.040 27.896 50.392 33.342 -99.200 -91.000 TRP6 91 1.020 28.521 52.413 32.297 -99.200 -91.000 PHE 110 1.000 9.594 23.605 37.383 -99.200 -91.000 TYR 113 0.840 6.299 20.098 25.189 -99.200 -91.000 HIS 115 0.900 10.845 19.921 34.222 -99.200 -91.000 TYR 132 0.840 36.583 17.806 31.267 -99.200 -91.000 TRP 139 1.040 14.886 31.406 20.505 -99.200 -91.000 TRP6 139 1.020 13.450 30.446 18.883 -99.200 -91.000 PHE 176 1.000 32.786 29.676 30.949 -99.200 -91.000 TYR 180 0.840 34.606 23.183 18.249 -99.200 -91.000 PHE 199 1.000 29.922 26.473 28.025 -99.200 -91.000 PHE 205 1.000 31.356 13.214 38.630 -99.200 -91.000 TRP 209 1.040 21.344 18.143 30.184 -99.200 -91.000 TRP6 209 1.020 22.990 18.474 28.527 -99.200 -91.000 TYR 210 0.840 24.727 20.083 37.946 -99.200 -91.000 TRP 217 1.040 33.031 39.664 27.176 -99.200 -91.000 TRP6 217 1.020 35.145 39.727 26.104 -99.200 -91.000 PHE 229 1.000 36.705 36.007 26.620 -99.200 -91.000 TYR 230 0.840 30.025 31.318 26.513 -99.200 -91.000 HIS 232 0.900 33.444 30.293 36.800 -99.200 -91.000 PHE 234 1.000 30.978 27.175 42.676 -99.200 -91.000 TRP 239 1.040 24.308 39.435 43.089 -99.200 -91.000 TRP6 239 1.020 23.092 38.848 41.149 -99.200 -91.000 PHE 247 1.000 14.933 38.380 54.491 -99.200 -91.000