============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 17 1.000 -15.636 -1.554 -29.326 -99.200 -91.000 HIS 21 0.900 -3.741 -1.410 -19.506 -99.200 -91.000 HIS 23 0.900 -5.640 1.065 -14.912 -99.200 -91.000 PHE 31 1.000 -4.405 8.242 -1.836 -99.200 -91.000 TRP 35 1.040 -6.410 12.596 1.234 -99.200 -91.000 TRP6 35 1.020 -4.091 12.994 1.013 -99.200 -91.000 PHE 38 1.000 -5.158 12.724 -4.971 -99.200 -91.000 PHE 39 1.000 -8.931 9.336 -5.753 -99.200 -91.000 PHE 70 1.000 -2.868 -5.100 -1.874 -99.200 -91.000 HIS 89 0.900 -21.636 -7.286 -19.336 -99.200 -91.000 TRP 97 1.040 1.172 -0.605 -12.201 -99.200 -91.000 TRP6 97 1.020 1.263 1.358 -10.882 -99.200 -91.000 PHE 98 1.000 4.969 1.052 -12.300 -99.200 -91.000 PHE 115 1.000 -3.333 -11.197 -3.337 -99.200 -91.000 PHE 116 1.000 -0.378 -12.862 -8.309 -99.200 -91.000 TYR 122 0.840 -12.877 -16.978 -0.445 -99.200 -91.000 PHE 144 1.000 7.375 -9.054 -5.290 -99.200 -91.000 HIS 166 0.900 3.829 -0.554 -16.919 -99.200 -91.000 PHE 181 1.000 4.378 -13.891 -18.677 -99.200 -91.000 HIS 195 0.900 0.967 0.104 -20.703 -99.200 -91.000 TYR 204 0.840 9.134 -5.414 -28.340 -99.200 -91.000 TYR 213 0.840 4.381 -14.414 -25.951 -99.200 -91.000 HIS 219 0.900 0.474 3.535 -22.568 -99.200 -91.000 HIS 222 0.900 -2.157 6.718 -21.836 -99.200 -91.000 TRP 242 1.040 -5.118 11.016 -32.217 -99.200 -91.000 TRP6 242 1.020 -6.325 9.705 -33.803 -99.200 -91.000 TYR 257 0.840 2.105 -11.591 -37.306 -99.200 -91.000 TRP 267 1.040 -9.287 8.522 -20.105 -99.200 -91.000 TRP6 267 1.020 -7.408 9.444 -21.217 -99.200 -91.000 PHE 269 1.000 -14.071 6.654 -16.260 -99.200 -91.000 PHE 271 1.000 -2.665 8.313 -13.174 -99.200 -91.000 TYR 274 0.840 3.126 11.134 -13.334 -99.200 -91.000 PHE 292 1.000 -8.370 8.742 -29.139 -99.200 -91.000 PHE 300 1.000 -5.699 7.382 -38.109 -99.200 -91.000 PHE 322 1.000 -5.713 -11.883 -23.273 -99.200 -91.000