============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TRP 5 1.040 38.586 43.587 22.105 -99.200 -91.000 TRP6 5 1.020 38.187 42.726 24.241 -99.200 -91.000 PHE 14 1.000 56.525 64.983 5.171 -99.200 -91.000 HIS 23 0.900 46.575 59.860 -2.088 -99.200 -91.000 PHE 24 1.000 41.688 57.655 -2.468 -99.200 -91.000 HIS 25 0.900 46.239 54.966 -1.304 -99.200 -91.000 PHE 28 1.000 39.153 52.381 2.288 -99.200 -91.000 TRP 30 1.040 46.519 55.112 8.564 -99.200 -91.000 TRP6 30 1.020 45.796 57.334 8.673 -99.200 -91.000 HIS 32 0.900 44.190 44.067 6.896 -99.200 -91.000 TRP 35 1.040 40.175 42.555 11.834 -99.200 -91.000 TRP6 35 1.020 41.040 41.254 10.058 -99.200 -91.000 TYR 42 0.840 39.197 38.309 22.480 -99.200 -91.000 PHE 50 1.000 45.799 38.624 10.157 -99.200 -91.000 HIS 68 0.900 30.995 47.552 0.293 -99.200 -91.000 PHE 73 1.000 38.162 59.216 2.782 -99.200 -91.000 HIS 78 0.900 45.545 69.162 8.452 -99.200 -91.000 PHE 96 1.000 35.223 39.581 10.375 -99.200 -91.000 HIS 99 0.900 31.345 52.659 11.702 -99.200 -91.000 PHE 100 1.000 37.986 49.269 10.749 -99.200 -91.000 PHE 102 1.000 40.182 55.890 11.008 -99.200 -91.000 HIS 111 0.900 31.462 57.265 8.418 -99.200 -91.000 HIS 116 0.900 37.685 41.216 6.850 -99.200 -91.000 HIS 125 0.900 33.684 24.657 -2.447 -99.200 -91.000 TRP 136 1.040 38.135 40.866 17.904 -99.200 -91.000 TRP6 136 1.020 37.216 41.500 15.831 -99.200 -91.000