============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. PHE 18 1.000 42.305 46.417 102.898 -99.200 -91.000 TRP 29 1.040 31.089 45.798 99.415 -99.200 -91.000 TRP6 29 1.020 32.696 44.414 100.455 -99.200 -91.000 TRP 39 1.040 43.882 66.920 93.852 -99.200 -91.000 TRP6 39 1.020 44.318 65.542 95.710 -99.200 -91.000 PHE 49 1.000 29.716 75.934 69.485 -99.200 -91.000 TYR 67 0.840 54.190 67.127 98.371 -99.200 -91.000 TRP 73 1.040 52.641 77.885 94.715 -99.200 -91.000 TRP6 73 1.020 51.129 79.161 93.409 -99.200 -91.000 PHE 75 1.000 43.100 79.920 100.478 -99.200 -91.000 PHE 77 1.000 47.294 69.739 97.147 -99.200 -91.000 TYR 80 0.840 41.547 71.514 91.405 -99.200 -91.000 PHE 106 1.000 34.323 49.683 100.916 -99.200 -91.000 PHE 107 1.000 32.574 58.760 100.154 -99.200 -91.000 TYR 112 0.840 33.972 64.873 107.855 -99.200 -91.000 TYR 116 0.840 38.370 68.970 111.347 -99.200 -91.000 PHE 118 1.000 47.125 64.895 104.016 -99.200 -91.000 TYR 123 0.840 46.626 77.874 111.921 -99.200 -91.000 TRP 133 1.040 43.427 77.517 110.515 -99.200 -91.000 TRP6 133 1.020 43.065 75.386 109.540 -99.200 -91.000 TYR 136 0.840 40.709 74.309 104.042 -99.200 -91.000 TRP 139 1.040 35.221 76.310 99.829 -99.200 -91.000 TRP6 139 1.020 36.638 74.444 99.614 -99.200 -91.000 HIS 140 0.900 36.175 71.047 105.357 -99.200 -91.000 TRP 142 1.040 27.989 78.247 102.442 -99.200 -91.000 TRP6 142 1.020 28.044 77.806 100.127 -99.200 -91.000 PHE 147 1.000 27.357 71.092 97.586 -99.200 -91.000 TYR 158 0.840 44.721 55.228 111.458 -99.200 -91.000 HIS 168 0.900 60.377 50.003 101.426 -99.200 -91.000 TYR 171 0.840 63.352 53.919 96.068 -99.200 -91.000 TYR 185 0.840 53.894 66.654 104.894 -99.200 -91.000 HIS 190 0.900 51.926 57.121 112.955 -99.200 -91.000 TYR 191 0.840 54.075 62.128 115.866 -99.200 -91.000 HIS 193 0.900 46.140 60.188 108.989 -99.200 -91.000 TRP 196 1.040 39.490 62.320 112.799 -99.200 -91.000 TRP6 196 1.020 39.524 62.190 110.422 -99.200 -91.000 HIS 199 0.900 46.264 57.676 120.830 -99.200 -91.000 PHE 206 1.000 32.019 69.221 109.947 -99.200 -91.000 TYR 208 0.840 29.125 62.558 110.904 -99.200 -91.000 PHE 223 1.000 47.324 43.523 99.558 -99.200 -91.000 TYR 227 0.840 43.331 40.465 100.753 -99.200 -91.000 PHE 237 1.000 33.938 49.151 110.352 -99.200 -91.000