============================================================================= 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. TYR 17 0.840 104.204 194.339 -62.359 -99.200 -91.000 PHE 28 1.000 103.199 200.413 -46.136 -99.200 -91.000 HIS 59 0.900 94.280 179.093 -83.416 -99.200 -91.000 TYR 60 0.840 94.649 184.052 -84.849 -99.200 -91.000 TYR 61 0.840 102.496 178.268 -90.443 -99.200 -91.000 HIS 62 0.900 96.349 174.019 -87.273 -99.200 -91.000 HIS 65 0.900 101.277 175.097 -93.896 -99.200 -91.000 PHE 69 1.000 92.395 182.357 -91.683 -99.200 -91.000 HIS 103 0.900 107.334 204.863 -69.415 -99.200 -91.000 PHE 105 1.000 108.656 198.953 -60.345 -99.200 -91.000 HIS 112 0.900 114.829 199.090 -61.604 -99.200 -91.000 TYR 116 0.840 121.811 187.620 -56.554 -99.200 -91.000 PHE 153 1.000 116.724 164.192 -66.659 -99.200 -91.000 TRP 195 1.040 108.881 175.456 -80.903 -99.200 -91.000 TRP6 195 1.020 109.795 176.874 -82.564 -99.200 -91.000 PHE 207 1.000 107.187 160.826 -63.258 -99.200 -91.000 HIS 210 0.900 97.845 163.281 -65.139 -99.200 -91.000 PHE 224 1.000 95.117 169.780 -73.472 -99.200 -91.000 PHE 233 1.000 102.511 167.866 -77.893 -99.200 -91.000 PHE 235 1.000 100.640 164.389 -75.469 -99.200 -91.000 PHE 281 1.000 117.765 182.402 -57.755 -99.200 -91.000 PHE 306 1.000 100.774 185.502 -48.451 -99.200 -91.000 TYR 314 0.840 105.425 191.209 -44.079 -99.200 -91.000 HIS 327 0.900 96.521 183.095 -62.279 -99.200 -91.000 HIS 346 0.900 90.772 186.282 -44.932 -99.200 -91.000 TYR 349 0.840 97.295 179.675 -51.776 -99.200 -91.000 TYR 357 0.840 96.663 181.206 -71.386 -99.200 -91.000 HIS 359 0.900 92.026 177.201 -81.044 -99.200 -91.000 TRP 364 1.040 92.099 172.982 -63.302 -99.200 -91.000 TRP6 364 1.020 93.629 172.581 -65.065 -99.200 -91.000 TYR 379 0.840 81.781 163.907 -57.762 -99.200 -91.000 PHE 384 1.000 75.456 172.778 -74.049 -99.200 -91.000 PHE 386 1.000 82.998 174.955 -75.155 -99.200 -91.000 HIS 417 0.900 87.585 170.677 -63.329 -99.200 -91.000 TYR 436 0.840 79.042 187.303 -54.347 -99.200 -91.000 HIS 448 0.900 75.555 182.900 -68.469 -99.200 -91.000 HIS 450 0.900 71.762 182.233 -78.772 -99.200 -91.000 PHE 457 1.000 80.421 178.554 -65.671 -99.200 -91.000 PHE 466 1.000 64.849 170.532 -65.109 -99.200 -91.000 PHE 472 1.000 74.717 166.649 -75.764 -99.200 -91.000