============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. PHE 20 1.000 33.364 78.205 68.034 -99.200 -91.000 PHE 22 1.000 39.955 77.824 68.254 -99.200 -91.000 HIS 27 0.900 41.620 76.989 60.189 -99.200 -91.000 HIS 46 0.900 22.608 66.240 60.872 -99.200 -91.000 TRP 47 1.040 28.540 70.684 63.145 -99.200 -91.000 TRP6 47 1.020 30.566 69.916 64.045 -99.200 -91.000 TRP 63 1.040 35.235 59.712 68.425 -99.200 -91.000 TRP6 63 1.020 33.687 58.648 69.849 -99.200 -91.000 TYR 67 0.840 33.842 54.998 66.872 -99.200 -91.000 TRP 68 1.040 34.916 61.003 63.086 -99.200 -91.000 TRP6 68 1.020 33.380 62.136 61.715 -99.200 -91.000 TYR 72 0.840 45.855 61.920 63.112 -99.200 -91.000 PHE 80 1.000 45.778 64.114 67.458 -99.200 -91.000 TRP 88 1.040 41.215 73.913 70.071 -99.200 -91.000 TRP6 88 1.020 40.178 71.886 69.466 -99.200 -91.000 PHE 93 1.000 36.522 74.928 70.573 -99.200 -91.000 TYR 112 0.840 43.577 67.738 77.025 -99.200 -91.000 TYR 125 0.840 29.482 75.910 61.615 -99.200 -91.000 PHE 130 1.000 28.616 79.560 64.807 -99.200 -91.000 PHE 137 1.000 34.322 80.199 72.797 -99.200 -91.000 PHE 167 1.000 25.114 82.348 54.478 -99.200 -91.000 PHE 185 1.000 15.267 88.069 41.337 -99.200 -91.000 PHE 189 1.000 12.268 91.629 39.297 -99.200 -91.000 TYR 197 0.840 22.430 75.799 48.934 -99.200 -91.000 HIS 205 0.900 28.241 80.103 56.462 -99.200 -91.000 PHE 208 1.000 19.509 71.416 52.604 -99.200 -91.000 PHE 213 1.000 15.155 73.192 49.575 -99.200 -91.000 PHE 221 1.000 17.295 69.373 47.370 -99.200 -91.000 HIS 224 0.900 28.953 64.574 50.133 -99.200 -91.000 HIS 233 0.900 8.105 77.903 48.897 -99.200 -91.000 TRP 239 1.040 6.048 82.379 40.547 -99.200 -91.000 TRP6 239 1.020 5.868 80.903 38.711 -99.200 -91.000 PHE 241 1.000 11.393 83.824 42.146 -99.200 -91.000 PHE 252 1.000 20.334 78.109 36.997 -99.200 -91.000 HIS 257 0.900 15.414 74.872 31.703 -99.200 -91.000 PHE 264 1.000 16.313 72.647 43.423 -99.200 -91.000 PHE 273 1.000 15.333 76.206 36.170 -99.200 -91.000 PHE 277 1.000 24.645 86.619 33.562 -99.200 -91.000 TRP 286 1.040 29.004 83.616 31.489 -99.200 -91.000 TRP6 286 1.020 30.119 81.547 31.330 -99.200 -91.000 TRP 292 1.040 16.477 79.157 23.423 -99.200 -91.000 TRP6 292 1.020 16.386 81.480 23.051 -99.200 -91.000 TRP 297 1.040 18.014 91.300 38.822 -99.200 -91.000 TRP6 297 1.020 19.667 91.373 40.507 -99.200 -91.000 HIS 304 0.900 14.710 98.011 33.429 -99.200 -91.000 HIS 307 0.900 11.145 87.933 31.830 -99.200 -91.000 PHE 313 1.000 5.513 85.589 28.318 -99.200 -91.000 TYR 317 0.840 7.444 96.155 27.241 -99.200 -91.000