============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 7 1.000 32.388 43.012 4.690 -99.200 -91.000 HIS 24 0.900 46.964 73.292 -6.791 -99.200 -91.000 PHE 26 1.000 43.379 65.267 -5.614 -99.200 -91.000 TYR 38 0.840 43.625 34.884 6.274 -99.200 -91.000 PHE 45 1.000 44.186 53.579 -3.121 -99.200 -91.000 TRP 56 1.040 50.621 58.751 -4.662 -99.200 -91.000 TRP6 56 1.020 48.424 58.213 -5.345 -99.200 -91.000 PHE 63 1.000 43.224 57.405 -1.925 -99.200 -91.000 PHE 67 1.000 36.860 44.706 2.806 -99.200 -91.000 TYR 70 0.840 35.615 44.536 14.802 -99.200 -91.000 HIS 73 0.900 38.109 38.923 22.322 -99.200 -91.000 HIS 77 0.900 31.561 44.541 21.597 -99.200 -91.000 PHE 79 1.000 28.625 51.539 12.367 -99.200 -91.000 PHE 80 1.000 34.064 50.436 11.544 -99.200 -91.000 TYR 88 0.840 31.071 52.315 6.940 -99.200 -91.000 PHE 95 1.000 40.805 70.421 12.211 -99.200 -91.000 PHE 96 1.000 47.126 66.805 6.454 -99.200 -91.000 TYR 102 0.840 44.074 66.352 2.817 -99.200 -91.000 PHE 110 1.000 29.558 44.260 0.096 -99.200 -91.000 PHE 126 1.000 46.213 71.268 3.169 -99.200 -91.000 HIS 135 0.900 53.815 66.752 -3.782 -99.200 -91.000 TYR 139 0.840 55.044 55.529 -1.714 -99.200 -91.000 TYR 141 0.840 49.932 55.780 6.807 -99.200 -91.000 HIS 144 0.900 47.733 54.777 14.004 -99.200 -91.000 TYR 147 0.840 38.837 54.790 23.302 -99.200 -91.000 PHE 161 1.000 42.545 58.122 12.854 -99.200 -91.000 HIS 165 0.900 50.810 61.576 6.937 -99.200 -91.000 HIS 177 0.900 43.543 61.461 10.133 -99.200 -91.000 TYR 178 0.840 39.529 66.222 15.832 -99.200 -91.000 HIS 195 0.900 35.894 48.300 18.974 -99.200 -91.000 TYR 196 0.840 42.748 50.767 22.484 -99.200 -91.000 TYR 199 0.840 43.548 50.912 10.396 -99.200 -91.000 HIS 213 0.900 52.221 53.199 -9.242 -99.200 -91.000 PHE 219 1.000 48.309 42.158 6.597 -99.200 -91.000 HIS 227 0.900 40.365 37.805 25.308 -99.200 -91.000