============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. PHE 15 1.000 56.367 30.907 130.616 -99.200 -91.000 HIS 26 0.900 50.300 27.429 116.443 -99.200 -91.000 PHE 28 1.000 47.483 27.588 119.348 -99.200 -91.000 PHE 29 1.000 49.867 36.035 121.762 -99.200 -91.000 TYR 39 0.840 42.738 42.012 118.935 -99.200 -91.000 TYR 43 0.840 52.610 45.394 114.376 -99.200 -91.000 PHE 45 1.000 55.266 35.439 119.853 -99.200 -91.000 TYR 57 0.840 42.514 30.880 117.073 -99.200 -91.000 PHE 62 1.000 42.915 27.456 122.494 -99.200 -91.000 HIS 81 0.900 40.909 42.955 136.720 -99.200 -91.000 PHE 94 1.000 40.450 22.051 123.798 -99.200 -91.000 PHE 106 1.000 43.398 43.393 140.806 -99.200 -91.000 TYR 118 0.840 55.382 27.514 134.350 -99.200 -91.000 TYR 122 0.840 46.233 41.974 135.290 -99.200 -91.000 TRP 124 1.040 42.301 47.389 138.232 -99.200 -91.000 TRP6 124 1.020 41.731 47.928 136.026 -99.200 -91.000 TYR 135 0.840 47.336 46.825 126.955 -99.200 -91.000 TYR 139 0.840 54.098 44.603 124.484 -99.200 -91.000 PHE 143 1.000 58.721 42.915 123.226 -99.200 -91.000 PHE 155 1.000 63.654 40.434 128.732 -99.200 -91.000 TYR 169 0.840 50.800 54.045 130.758 -99.200 -91.000 PHE 183 1.000 35.131 60.882 123.767 -99.200 -91.000 HIS 187 0.900 32.313 62.589 121.047 -99.200 -91.000 TYR 194 0.840 30.929 53.767 112.802 -99.200 -91.000 TYR 201 0.840 40.913 46.167 114.918 -99.200 -91.000 TYR 205 0.840 37.290 43.572 119.680 -99.200 -91.000 TYR 207 0.840 37.205 54.516 124.295 -99.200 -91.000 TRP 215 1.040 24.142 49.820 128.607 -99.200 -91.000 TRP6 215 1.020 22.289 50.302 129.982 -99.200 -91.000 HIS 217 0.900 23.648 51.339 119.071 -99.200 -91.000 HIS 219 0.900 32.341 48.045 112.515 -99.200 -91.000 HIS 222 0.900 43.329 47.008 109.531 -99.200 -91.000 TYR 226 0.840 37.545 55.200 106.890 -99.200 -91.000 PHE 227 1.000 40.842 55.238 103.016 -99.200 -91.000 HIS 228 0.900 39.963 48.534 99.963 -99.200 -91.000 PHE 231 1.000 35.771 54.870 101.101 -99.200 -91.000 PHE 240 1.000 34.404 56.854 111.575 -99.200 -91.000 PHE 259 1.000 37.259 59.440 102.617 -99.200 -91.000 TYR 263 0.840 35.175 63.505 101.122 -99.200 -91.000 TYR 275 0.840 49.887 60.752 123.673 -99.200 -91.000 PHE 277 1.000 55.547 56.801 122.918 -99.200 -91.000 TYR 287 0.840 57.414 45.799 118.410 -99.200 -91.000 TYR 300 0.840 40.331 61.552 125.127 -99.200 -91.000 HIS 310 0.900 25.903 53.816 131.277 -99.200 -91.000 HIS 314 0.900 23.597 50.817 135.213 -99.200 -91.000 TYR 317 0.840 21.031 42.765 128.889 -99.200 -91.000 TRP 318 1.040 30.109 40.580 136.431 -99.200 -91.000 TRP6 318 1.020 30.592 42.880 136.184 -99.200 -91.000 TYR 322 0.840 25.957 36.275 130.828 -99.200 -91.000