============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 7 1.000 46.284 108.357 27.727 -99.200 -91.000 HIS 14 0.900 36.289 100.333 38.093 -99.200 -91.000 TYR 26 0.840 51.196 107.200 28.651 -99.200 -91.000 PHE 31 1.000 36.342 110.004 35.593 -99.200 -91.000 HIS 32 0.900 34.656 116.104 31.596 -99.200 -91.000 HIS 49 0.900 49.158 114.180 22.571 -99.200 -91.000 PHE 50 1.000 46.946 107.790 23.220 -99.200 -91.000 HIS 58 0.900 25.958 109.792 19.108 -99.200 -91.000 PHE 76 1.000 38.432 102.972 28.415 -99.200 -91.000 PHE 96 1.000 44.128 99.916 19.975 -99.200 -91.000 PHE 100 1.000 40.290 88.896 23.368 -99.200 -91.000 HIS 129 0.900 4.928 83.746 28.712 -99.200 -91.000 PHE 136 1.000 16.188 64.653 24.250 -99.200 -91.000 TYR 148 0.840 39.360 74.919 23.921 -99.200 -91.000 HIS 150 0.900 40.912 85.630 24.758 -99.200 -91.000 TYR 164 0.840 30.892 62.601 28.605 -99.200 -91.000 TYR 166 0.840 34.475 64.844 22.347 -99.200 -91.000 PHE 167 1.000 39.819 72.064 21.352 -99.200 -91.000 TYR 168 0.840 37.676 72.748 12.552 -99.200 -91.000 HIS 184 0.900 39.750 65.079 9.278 -99.200 -91.000 HIS 197 0.900 31.232 80.656 21.540 -99.200 -91.000 HIS 241 0.900 19.995 67.492 10.456 -99.200 -91.000 PHE 254 1.000 11.617 77.879 11.816 -99.200 -91.000 HIS 262 0.900 20.422 94.943 21.895 -99.200 -91.000 TYR 285 0.840 48.637 103.326 18.350 -99.200 -91.000 PHE 297 1.000 45.874 102.044 12.209 -99.200 -91.000 HIS 305 0.900 63.050 90.815 20.994 -99.200 -91.000 HIS 311 0.900 55.819 105.705 6.908 -99.200 -91.000 HIS 313 0.900 52.746 102.630 4.864 -99.200 -91.000 PHE 327 1.000 64.875 102.622 8.731 -99.200 -91.000 TYR 338 0.840 53.447 92.003 12.367 -99.200 -91.000 TYR 346 0.840 51.116 100.614 12.893 -99.200 -91.000 TYR 377 0.840 60.804 101.200 22.176 -99.200 -91.000