============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 17 0.840 30.459 -14.702 24.229 -99.200 -91.000 PHE 30 1.000 39.629 -17.981 22.816 -99.200 -91.000 HIS 49 0.900 32.448 -15.286 12.966 -99.200 -91.000 TYR 53 0.840 26.561 -5.485 14.652 -99.200 -91.000 TYR 64 0.840 51.769 -23.724 26.241 -99.200 -91.000 HIS 103 0.900 57.591 -19.082 24.828 -99.200 -91.000 TYR 106 0.840 52.380 -16.380 33.935 -99.200 -91.000 HIS 121 0.900 52.300 -29.462 41.944 -99.200 -91.000 TYR 123 0.840 53.364 -19.998 46.403 -99.200 -91.000 PHE 136 1.000 35.672 -18.879 38.926 -99.200 -91.000 PHE 145 1.000 25.413 -18.393 51.137 -99.200 -91.000 TYR 147 0.840 18.820 -19.410 41.553 -99.200 -91.000 PHE 153 1.000 16.326 -14.403 53.417 -99.200 -91.000 HIS 168 0.900 34.873 -24.530 43.338 -99.200 -91.000 PHE 176 1.000 24.119 -19.909 55.899 -99.200 -91.000 PHE 188 1.000 20.572 -16.824 57.250 -99.200 -91.000 TRP 216 1.040 25.201 -20.695 30.448 -99.200 -91.000 TRP6 216 1.020 26.454 -20.688 28.434 -99.200 -91.000 HIS 224 0.900 32.801 -9.868 39.501 -99.200 -91.000 HIS 231 0.900 38.581 -2.065 32.863 -99.200 -91.000 PHE 247 1.000 40.455 -15.245 57.215 -99.200 -91.000 HIS 249 0.900 43.632 -21.748 59.948 -99.200 -91.000 PHE 254 1.000 41.801 -21.414 53.999 -99.200 -91.000 TRP 271 1.040 35.535 -10.408 54.815 -99.200 -91.000 TRP6 271 1.020 33.873 -11.507 53.541 -99.200 -91.000 TYR 276 0.840 28.595 -23.817 61.769 -99.200 -91.000 TYR 292 0.840 51.069 -28.923 47.649 -99.200 -91.000