============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. PHE 10 1.000 30.813 13.514 57.358 -99.200 -91.000 PHE 39 1.000 38.629 2.140 54.506 -99.200 -91.000 PHE 41 1.000 39.232 8.467 58.092 -99.200 -91.000 TYR 50 0.840 42.013 3.245 58.350 -99.200 -91.000 PHE 66 1.000 55.154 -0.520 52.327 -99.200 -91.000 PHE 76 1.000 46.763 13.857 69.999 -99.200 -91.000 PHE 80 1.000 49.573 8.703 78.415 -99.200 -91.000 PHE 86 1.000 51.943 1.058 71.915 -99.200 -91.000 TRP 89 1.040 59.130 8.852 65.245 -99.200 -91.000 TRP6 89 1.020 57.535 8.551 63.529 -99.200 -91.000 HIS 91 0.900 66.211 3.794 61.436 -99.200 -91.000 TRP 95 1.040 62.431 0.267 68.902 -99.200 -91.000 TRP6 95 1.020 63.587 -1.316 67.591 -99.200 -91.000 HIS 99 0.900 64.504 -5.158 69.619 -99.200 -91.000 PHE 106 1.000 59.234 -7.840 78.111 -99.200 -91.000 TYR 114 0.840 59.292 -12.161 83.702 -99.200 -91.000 HIS 115 0.900 54.444 -21.212 85.975 -99.200 -91.000 TRP 129 1.040 36.230 -15.218 89.805 -99.200 -91.000 TRP6 129 1.020 36.712 -15.966 87.596 -99.200 -91.000 HIS 137 0.900 26.638 -10.200 88.988 -99.200 -91.000 PHE 157 1.000 56.249 -1.327 88.871 -99.200 -91.000 TYR 159 0.840 53.079 -0.568 94.078 -99.200 -91.000 PHE 161 1.000 49.877 -1.254 90.212 -99.200 -91.000 PHE 164 1.000 42.063 -10.406 91.731 -99.200 -91.000 TYR 165 0.840 44.115 -8.359 99.447 -99.200 -91.000 HIS 170 0.900 47.855 2.195 93.146 -99.200 -91.000 PHE 172 1.000 50.819 4.285 87.228 -99.200 -91.000 TYR 197 0.840 37.777 20.704 73.456 -99.200 -91.000 PHE 204 1.000 47.326 14.226 78.506 -99.200 -91.000 HIS 235 0.900 67.372 -9.110 83.879 -99.200 -91.000 TYR 255 0.840 59.458 8.931 78.985 -99.200 -91.000 PHE 260 1.000 58.045 -2.916 79.887 -99.200 -91.000 HIS 265 0.900 43.963 -0.844 83.104 -99.200 -91.000 PHE 274 1.000 36.808 -9.188 72.844 -99.200 -91.000 TYR 277 0.840 30.872 -13.288 73.478 -99.200 -91.000 PHE 278 1.000 34.525 -15.128 70.292 -99.200 -91.000 HIS 284 0.900 28.738 -29.634 72.218 -99.200 -91.000 TYR 304 0.840 57.976 -22.652 80.868 -99.200 -91.000 TYR 312 0.840 40.434 -27.128 71.824 -99.200 -91.000 TRP 324 1.040 35.411 -9.662 68.318 -99.200 -91.000 TRP6 324 1.020 35.073 -7.744 66.964 -99.200 -91.000 PHE 330 1.000 50.376 -3.950 62.244 -99.200 -91.000 TYR 333 0.840 58.007 5.581 57.870 -99.200 -91.000 TYR 344 0.840 45.113 -0.185 44.976 -99.200 -91.000 HIS 360 0.900 43.720 -11.552 62.970 -99.200 -91.000 TRP 366 1.040 41.922 -16.381 58.251 -99.200 -91.000 TRP6 366 1.020 43.201 -17.508 59.895 -99.200 -91.000 PHE 373 1.000 36.350 -19.340 70.057 -99.200 -91.000 PHE 378 1.000 44.583 -19.772 65.046 -99.200 -91.000 HIS 387 0.900 54.099 -10.878 56.938 -99.200 -91.000 PHE 389 1.000 46.649 -15.428 64.892 -99.200 -91.000 PHE 392 1.000 50.432 -11.474 70.714 -99.200 -91.000 PHE 404 1.000 54.439 -10.750 81.785 -99.200 -91.000 HIS 407 0.900 53.946 -19.349 81.078 -99.200 -91.000 HIS 419 0.900 41.239 -24.954 90.730 -99.200 -91.000 PHE 420 1.000 36.254 -21.123 89.938 -99.200 -91.000 PHE 422 1.000 34.252 -20.280 84.158 -99.200 -91.000 HIS 425 0.900 24.494 -14.376 85.502 -99.200 -91.000 TYR 428 0.840 28.106 -9.626 77.194 -99.200 -91.000 PHE 443 1.000 31.530 -12.703 79.298 -99.200 -91.000