============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 7 1.000 26.051 48.571 7.290 -99.200 -91.000 HIS 24 0.900 39.627 17.814 -4.978 -99.200 -91.000 PHE 26 1.000 36.973 26.012 -2.794 -99.200 -91.000 TYR 38 0.840 15.506 50.931 -1.148 -99.200 -91.000 PHE 45 1.000 29.937 36.032 -4.522 -99.200 -91.000 TRP 56 1.040 30.170 28.866 -9.172 -99.200 -91.000 TRP6 56 1.020 31.501 30.405 -7.963 -99.200 -91.000 PHE 67 1.000 25.829 45.622 2.953 -99.200 -91.000 TYR 70 0.840 17.728 43.362 11.780 -99.200 -91.000 HIS 73 0.900 8.414 46.365 13.659 -99.200 -91.000 HIS 77 0.900 14.764 43.375 19.012 -99.200 -91.000 PHE 79 1.000 26.454 40.869 16.721 -99.200 -91.000 PHE 80 1.000 23.484 39.765 11.607 -99.200 -91.000 TYR 88 0.840 29.203 40.509 11.445 -99.200 -91.000 PHE 96 1.000 26.830 21.067 2.178 -99.200 -91.000 TYR 102 0.840 31.057 23.371 2.033 -99.200 -91.000 PHE 110 1.000 31.489 49.667 6.638 -99.200 -91.000 PHE 126 1.000 31.665 18.036 1.725 -99.200 -91.000 HIS 135 0.900 31.465 20.102 -9.414 -99.200 -91.000 TYR 139 0.840 24.457 29.244 -11.400 -99.200 -91.000 TYR 141 0.840 20.355 29.450 -2.330 -99.200 -91.000 TYR 148 0.840 13.578 30.084 12.150 -99.200 -91.000 PHE 162 1.000 21.298 29.649 7.701 -99.200 -91.000 HIS 166 0.900 22.404 24.075 -1.526 -99.200 -91.000 HIS 178 0.900 23.559 26.632 6.019 -99.200 -91.000 TYR 179 0.840 25.302 26.291 16.535 -99.200 -91.000 HIS 196 0.900 16.223 39.079 15.004 -99.200 -91.000 TYR 197 0.840 11.126 34.830 10.467 -99.200 -91.000 HIS 214 0.900 30.206 33.811 -14.584 -99.200 -91.000 PHE 220 1.000 15.751 42.106 -3.791 -99.200 -91.000 HIS 228 0.900 3.234 47.478 13.519 -99.200 -91.000