============================================================================= 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. PHE 7 1.000 43.228 57.711 31.153 -99.200 -91.000 PHE 16 1.000 55.403 52.548 32.066 -99.200 -91.000 TRP 19 1.040 62.956 63.853 32.377 -99.200 -91.000 TRP6 19 1.020 62.416 65.294 30.575 -99.200 -91.000 PHE 29 1.000 44.751 61.515 26.794 -99.200 -91.000 PHE 31 1.000 41.231 67.469 27.100 -99.200 -91.000 PHE 33 1.000 40.293 62.221 17.238 -99.200 -91.000 TYR 48 0.840 48.677 66.963 40.228 -99.200 -91.000 PHE 49 1.000 46.140 72.250 45.123 -99.200 -91.000 TYR 56 0.840 51.886 75.494 36.975 -99.200 -91.000 PHE 72 1.000 63.913 72.031 47.608 -99.200 -91.000 TYR 84 0.840 54.652 70.294 31.805 -99.200 -91.000 PHE 105 1.000 60.689 65.246 25.018 -99.200 -91.000 PHE 111 1.000 61.799 53.940 26.075 -99.200 -91.000 PHE 130 1.000 46.561 52.688 28.282 -99.200 -91.000 TYR 145 0.840 47.499 57.607 25.622 -99.200 -91.000 TYR 166 0.840 40.911 49.838 39.378 -99.200 -91.000 PHE 175 1.000 49.168 51.681 39.176 -99.200 -91.000 PHE 180 1.000 45.361 59.929 40.909 -99.200 -91.000 TYR 195 0.840 45.449 63.404 49.386 -99.200 -91.000 TRP 196 1.040 50.111 65.730 46.448 -99.200 -91.000 TRP6 196 1.020 48.707 64.801 44.794 -99.200 -91.000 HIS 199 0.900 59.102 60.240 54.893 -99.200 -91.000 TYR 246 0.840 54.958 62.939 39.759 -99.200 -91.000 TRP 251 1.040 36.179 64.357 30.860 -99.200 -91.000 TRP6 251 1.020 36.985 63.469 28.817 -99.200 -91.000