============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. PHE 6 1.000 -0.400 38.627 39.560 -99.200 -91.000 PHE 10 1.000 3.613 43.670 23.035 -99.200 -91.000 TYR 14 0.840 -0.005 46.967 25.939 -99.200 -91.000 HIS 26 0.900 21.811 48.045 21.382 -99.200 -91.000 TYR 41 0.840 -0.930 52.160 27.035 -99.200 -91.000 HIS 52 0.900 19.881 37.923 25.847 -99.200 -91.000 PHE 58 1.000 15.333 40.800 34.142 -99.200 -91.000 TYR 65 0.840 9.790 50.457 40.825 -99.200 -91.000 HIS 70 0.900 9.070 66.166 37.558 -99.200 -91.000 PHE 79 1.000 10.270 43.481 32.053 -99.200 -91.000 PHE 80 1.000 3.738 42.450 28.578 -99.200 -91.000 PHE 86 1.000 14.158 40.953 28.028 -99.200 -91.000 TYR 87 0.840 7.281 42.558 22.593 -99.200 -91.000 PHE 90 1.000 9.539 53.018 28.294 -99.200 -91.000 HIS 101 0.900 6.411 69.355 18.543 -99.200 -91.000 HIS 103 0.900 13.893 68.062 12.034 -99.200 -91.000 HIS 107 0.900 12.856 80.785 14.909 -99.200 -91.000 PHE 108 1.000 9.425 75.074 18.816 -99.200 -91.000 PHE 126 1.000 11.201 62.762 40.227 -99.200 -91.000 HIS 128 0.900 20.655 66.738 37.402 -99.200 -91.000 HIS 134 0.900 18.769 61.866 29.482 -99.200 -91.000 HIS 146 0.900 -0.822 69.361 24.544 -99.200 -91.000 PHE 158 1.000 15.868 58.466 32.976 -99.200 -91.000 TYR 166 0.840 48.074 52.903 52.381 -99.200 -91.000 PHE 175 1.000 35.385 57.200 47.467 -99.200 -91.000 TYR 182 0.840 30.201 71.084 41.886 -99.200 -91.000 TRP 189 1.040 27.451 71.947 27.393 -99.200 -91.000 TRP6 189 1.020 29.232 73.496 27.437 -99.200 -91.000 TYR 196 0.840 22.963 79.151 19.988 -99.200 -91.000 TYR 202 0.840 22.167 79.488 14.582 -99.200 -91.000 PHE 205 1.000 29.509 75.105 22.280 -99.200 -91.000 TRP 215 1.040 29.447 65.558 6.397 -99.200 -91.000 TRP6 215 1.020 28.097 64.785 8.195 -99.200 -91.000 PHE 225 1.000 33.456 64.656 20.208 -99.200 -91.000 TYR 233 0.840 30.290 84.506 24.090 -99.200 -91.000 PHE 235 1.000 23.956 84.319 22.622 -99.200 -91.000 TRP 240 1.040 21.013 83.789 18.619 -99.200 -91.000 TRP6 240 1.020 20.172 82.672 20.520 -99.200 -91.000 HIS 242 0.900 14.201 88.671 17.337 -99.200 -91.000 HIS 271 0.900 17.946 83.434 33.960 -99.200 -91.000 TRP 273 1.040 14.021 83.474 28.918 -99.200 -91.000 TRP6 273 1.020 13.843 81.250 28.182 -99.200 -91.000