============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. TRP 3 1.040 33.052 54.819 40.192 -99.200 -91.000 TRP6 3 1.020 34.817 55.976 41.264 -99.200 -91.000 TYR 5 0.840 37.185 55.919 46.791 -99.200 -91.000 HIS 8 0.900 26.492 52.189 49.277 -99.200 -91.000 HIS 13 0.900 30.046 45.707 47.297 -99.200 -91.000 TRP 14 1.040 35.304 50.366 43.247 -99.200 -91.000 TRP6 14 1.020 37.338 51.565 43.368 -99.200 -91.000 PHE 17 1.000 28.408 46.537 39.813 -99.200 -91.000 PHE 18 1.000 33.978 49.462 36.672 -99.200 -91.000 TYR 38 0.840 70.489 53.783 40.560 -99.200 -91.000 TYR 49 0.840 53.354 70.322 36.193 -99.200 -91.000 HIS 62 0.900 33.664 59.377 42.118 -99.200 -91.000 PHE 64 1.000 41.638 68.749 45.287 -99.200 -91.000 PHE 68 1.000 46.059 71.873 36.189 -99.200 -91.000 TYR 86 0.840 53.601 60.297 28.617 -99.200 -91.000 HIS 92 0.900 43.219 62.430 41.075 -99.200 -91.000 HIS 94 0.900 43.127 59.088 45.171 -99.200 -91.000 TRP 95 1.040 40.169 62.493 51.993 -99.200 -91.000 TRP6 95 1.020 39.873 63.889 50.104 -99.200 -91.000 HIS 101 0.900 44.219 53.936 57.653 -99.200 -91.000 HIS 105 0.900 50.955 54.375 44.403 -99.200 -91.000 TYR 112 0.840 54.687 59.341 53.440 -99.200 -91.000 HIS 117 0.900 47.210 59.531 42.829 -99.200 -91.000 HIS 120 0.900 51.541 64.838 34.295 -99.200 -91.000 TRP 121 1.040 46.261 64.178 27.733 -99.200 -91.000 TRP6 121 1.020 46.061 64.340 25.384 -99.200 -91.000 TYR 126 0.840 48.630 56.842 22.256 -99.200 -91.000 PHE 129 1.000 43.037 61.068 30.414 -99.200 -91.000 HIS 134 0.900 40.217 52.675 26.669 -99.200 -91.000 PHE 145 1.000 53.812 58.250 49.011 -99.200 -91.000 PHE 174 1.000 42.186 76.404 41.954 -99.200 -91.000 PHE 177 1.000 47.261 74.387 41.832 -99.200 -91.000 TRP 187 1.040 61.036 67.705 41.489 -99.200 -91.000 TRP6 187 1.020 61.063 68.956 39.479 -99.200 -91.000 TYR 189 0.840 61.662 58.882 38.764 -99.200 -91.000 TRP 190 1.040 60.772 54.154 45.347 -99.200 -91.000 TRP6 190 1.020 59.906 55.406 47.156 -99.200 -91.000 TYR 192 0.840 53.421 50.949 40.259 -99.200 -91.000 TRP 207 1.040 50.417 54.456 38.826 -99.200 -91.000 TRP6 207 1.020 49.481 56.269 40.021 -99.200 -91.000 PHE 224 1.000 41.892 68.978 50.662 -99.200 -91.000 PHE 238 1.000 29.784 65.702 55.865 -99.200 -91.000 HIS 243 0.900 42.711 55.050 51.874 -99.200 -91.000 PHE 258 1.000 65.298 56.800 45.711 -99.200 -91.000