============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. PHE 21 1.000 19.045 62.399 29.026 -99.200 -91.000 HIS 23 0.900 14.189 53.260 21.871 -99.200 -91.000 HIS 25 0.900 9.804 54.477 25.451 -99.200 -91.000 PHE 38 1.000 16.224 48.523 19.288 -99.200 -91.000 HIS 57 0.900 42.707 50.020 28.987 -99.200 -91.000 PHE 61 1.000 27.187 45.241 24.250 -99.200 -91.000 HIS 73 0.900 5.408 48.484 22.962 -99.200 -91.000 TYR 77 0.840 9.344 38.053 15.572 -99.200 -91.000 HIS 92 0.900 34.477 43.083 22.694 -99.200 -91.000 PHE 96 1.000 19.892 41.407 22.947 -99.200 -91.000 HIS 97 0.900 20.754 37.966 31.815 -99.200 -91.000 PHE 121 1.000 15.770 39.266 21.788 -99.200 -91.000 PHE 129 1.000 13.261 40.125 30.196 -99.200 -91.000 TYR 131 0.840 22.214 45.570 26.101 -99.200 -91.000 HIS 132 0.900 25.958 39.065 30.396 -99.200 -91.000 TRP 141 1.040 38.905 41.511 31.726 -99.200 -91.000 TRP6 141 1.020 39.840 41.533 29.568 -99.200 -91.000 HIS 142 0.900 35.065 40.642 26.681 -99.200 -91.000 HIS 160 0.900 -2.116 47.542 32.150 -99.200 -91.000 TYR 169 0.840 7.242 55.041 31.082 -99.200 -91.000 TYR 173 0.840 15.560 60.698 33.974 -99.200 -91.000 TYR 174 0.840 19.908 51.128 31.549 -99.200 -91.000 PHE 180 1.000 33.805 50.277 35.940 -99.200 -91.000 TYR 181 0.840 34.983 43.716 40.764 -99.200 -91.000 TYR 190 0.840 41.937 52.929 42.757 -99.200 -91.000 TYR 193 0.840 46.861 47.851 34.147 -99.200 -91.000 TYR 200 0.840 42.107 37.920 31.821 -99.200 -91.000 HIS 214 0.900 36.907 53.043 41.623 -99.200 -91.000 PHE 217 1.000 23.756 54.439 40.979 -99.200 -91.000 HIS 242 0.900 19.723 50.702 39.984 -99.200 -91.000 HIS 252 0.900 15.969 54.747 50.290 -99.200 -91.000 HIS 257 0.900 8.353 57.097 50.327 -99.200 -91.000 TYR 260 0.840 1.840 51.551 41.694 -99.200 -91.000 TRP 262 1.040 6.274 45.793 37.683 -99.200 -91.000 TRP6 262 1.020 5.881 48.115 37.349 -99.200 -91.000 PHE 267 1.000 7.603 45.836 32.917 -99.200 -91.000 TRP 278 1.040 13.900 49.542 43.956 -99.200 -91.000 TRP6 278 1.020 13.292 51.668 44.850 -99.200 -91.000 PHE 279 1.000 19.001 41.945 46.797 -99.200 -91.000 PHE 289 1.000 4.336 54.989 37.524 -99.200 -91.000 TYR 290 0.840 8.225 59.012 44.621 -99.200 -91.000 PHE 292 1.000 10.611 62.478 41.755 -99.200 -91.000 TYR 298 0.840 13.047 63.894 45.753 -99.200 -91.000 TYR 300 0.840 17.869 55.367 41.835 -99.200 -91.000 HIS 303 0.900 19.934 53.127 52.450 -99.200 -91.000 PHE 309 1.000 25.624 58.891 50.131 -99.200 -91.000 HIS 316 0.900 23.256 64.474 43.870 -99.200 -91.000 PHE 317 1.000 15.470 60.936 39.696 -99.200 -91.000 TRP 323 1.040 7.872 71.808 51.878 -99.200 -91.000 TRP6 323 1.020 9.547 70.165 51.570 -99.200 -91.000