============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 13 1.000 20.739 -6.801 32.057 -99.200 -91.000 TYR 61 0.840 15.311 -10.734 28.267 -99.200 -91.000 PHE 70 1.000 18.208 -6.264 41.270 -99.200 -91.000 PHE 115 1.000 15.198 -3.554 55.846 -99.200 -91.000 PHE 158 1.000 3.827 -7.844 61.496 -99.200 -91.000 TYR 308 0.840 28.187 1.312 77.959 -99.200 -91.000 TYR 312 0.840 18.947 10.599 80.485 -99.200 -91.000 PHE 313 1.000 15.546 15.757 82.049 -99.200 -91.000 PHE 332 1.000 25.195 9.796 79.009 -99.200 -91.000 PHE 333 1.000 25.948 12.854 88.056 -99.200 -91.000 TYR 334 0.840 21.577 14.137 80.668 -99.200 -91.000 TRP 352 1.040 29.288 10.723 77.231 -99.200 -91.000 TRP6 352 1.020 28.790 9.852 75.102 -99.200 -91.000 HIS 357 0.900 20.140 21.868 82.500 -99.200 -91.000 TRP 382 1.040 25.197 26.666 94.689 -99.200 -91.000 TRP6 382 1.020 26.567 26.345 92.810 -99.200 -91.000 TYR 389 0.840 17.694 45.865 101.204 -99.200 -91.000 TYR 418 0.840 34.780 37.543 91.517 -99.200 -91.000 TRP 425 1.040 24.504 41.940 93.784 -99.200 -91.000 TRP6 425 1.020 25.210 39.886 94.734 -99.200 -91.000 TYR 430 0.840 13.068 43.194 100.217 -99.200 -91.000 TYR 436 0.840 27.132 33.949 91.863 -99.200 -91.000 PHE 438 1.000 29.059 28.248 87.666 -99.200 -91.000 PHE 451 1.000 31.421 24.043 87.007 -99.200 -91.000