============================================================================= 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. TYR 4 0.840 20.904 64.996 50.353 -99.200 -91.000 TYR 15 0.840 22.719 49.282 46.858 -99.200 -91.000 PHE 18 1.000 22.762 46.899 51.789 -99.200 -91.000 PHE 26 1.000 29.696 41.129 43.178 -99.200 -91.000 PHE 28 1.000 30.567 47.907 45.070 -99.200 -91.000 TRP 37 1.040 23.331 53.784 41.097 -99.200 -91.000 TRP6 37 1.020 23.856 52.166 42.721 -99.200 -91.000 HIS 44 0.900 18.682 67.590 34.705 -99.200 -91.000 PHE 47 1.000 18.356 67.017 39.550 -99.200 -91.000 TYR 60 0.840 20.026 64.885 43.615 -99.200 -91.000 PHE 76 1.000 13.258 43.534 59.912 -99.200 -91.000 PHE 106 1.000 25.388 55.007 22.697 -99.200 -91.000 TYR 110 0.840 28.719 57.877 29.790 -99.200 -91.000 PHE 114 1.000 22.587 58.075 29.415 -99.200 -91.000 TYR 121 0.840 13.256 65.861 39.269 -99.200 -91.000 PHE 127 1.000 1.934 60.700 29.141 -99.200 -91.000 TYR 145 0.840 17.819 61.535 33.370 -99.200 -91.000 TRP 157 1.040 11.895 41.662 27.052 -99.200 -91.000 TRP6 157 1.020 11.667 43.167 28.873 -99.200 -91.000 PHE 182 1.000 -0.370 54.849 29.276 -99.200 -91.000 PHE 186 1.000 1.611 57.442 33.503 -99.200 -91.000 TYR 195 0.840 19.790 58.691 42.020 -99.200 -91.000 TYR 205 0.840 15.914 52.100 25.444 -99.200 -91.000 PHE 206 1.000 19.503 55.445 25.838 -99.200 -91.000