============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 25 1.040 111.794 23.003 176.763 -99.200 -91.000 TRP6 25 1.020 113.790 21.782 177.085 -99.200 -91.000 PHE 56 1.000 104.157 19.447 168.491 -99.200 -91.000 PHE 94 1.000 103.561 25.330 148.318 -99.200 -91.000 TYR 104 0.840 96.040 28.247 123.041 -99.200 -91.000 TYR 109 0.840 103.597 37.367 104.063 -99.200 -91.000 TYR 110 0.840 95.045 38.273 101.977 -99.200 -91.000 TYR 116 0.840 93.740 44.393 83.378 -99.200 -91.000 TRP 123 1.040 84.943 45.573 97.884 -99.200 -91.000 TRP6 123 1.020 83.735 43.814 98.898 -99.200 -91.000 PHE 147 1.000 99.793 43.855 102.289 -99.200 -91.000 PHE 150 1.000 100.529 35.567 93.601 -99.200 -91.000 TYR 158 0.840 106.681 33.342 82.133 -99.200 -91.000 TYR 160 0.840 101.248 42.256 77.801 -99.200 -91.000 TYR 172 0.840 101.827 53.254 75.565 -99.200 -91.000 PHE 182 1.000 104.290 43.152 92.113 -99.200 -91.000 TYR 184 0.840 107.058 37.521 98.112 -99.200 -91.000 HIS 186 0.900 107.549 41.208 103.823 -99.200 -91.000 PHE 197 1.000 96.670 42.840 106.915 -99.200 -91.000 PHE 217 1.000 101.995 26.532 93.323 -99.200 -91.000 TRP 232 1.040 106.843 32.840 108.670 -99.200 -91.000 TRP6 232 1.020 104.506 32.684 108.342 -99.200 -91.000 HIS 238 0.900 104.925 29.474 112.452 -99.200 -91.000 PHE 242 1.000 98.645 31.278 95.903 -99.200 -91.000 HIS 249 0.900 103.588 30.123 84.486 -99.200 -91.000 HIS 268 0.900 117.960 32.977 96.460 -99.200 -91.000 HIS 274 0.900 110.430 44.523 94.295 -99.200 -91.000 TYR 275 0.840 112.220 34.527 93.940 -99.200 -91.000 TYR 283 0.840 107.243 29.876 87.339 -99.200 -91.000 PHE 302 1.000 96.988 25.909 97.461 -99.200 -91.000 TYR 312 0.840 95.133 27.008 92.907 -99.200 -91.000 TYR 315 0.840 98.166 22.297 91.226 -99.200 -91.000 TYR 342 0.840 92.691 30.604 118.541 -99.200 -91.000 PHE 364 1.000 106.890 20.544 141.944 -99.200 -91.000 PHE 391 1.000 100.486 21.601 137.979 -99.200 -91.000 PHE 408 1.000 109.826 27.916 146.859 -99.200 -91.000 PHE 415 1.000 100.617 29.708 131.559 -99.200 -91.000 PHE 425 1.000 114.065 28.213 156.096 -99.200 -91.000 HIS 440 0.900 116.703 34.808 191.458 -99.200 -91.000 PHE 449 1.000 114.936 29.733 185.063 -99.200 -91.000