============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 12 1.000 -38.054 44.321 24.740 -99.200 -91.000 HIS 18 0.900 -36.924 63.143 29.218 -99.200 -91.000 TYR 22 0.840 -27.378 51.361 22.875 -99.200 -91.000 HIS 28 0.900 -32.871 39.114 34.521 -99.200 -91.000 PHE 38 1.000 -38.543 49.371 36.331 -99.200 -91.000 PHE 39 1.000 -30.113 43.381 39.846 -99.200 -91.000 TYR 44 0.840 -33.414 42.396 42.738 -99.200 -91.000 HIS 49 0.900 -46.904 54.776 46.864 -99.200 -91.000 PHE 51 1.000 -39.061 51.751 46.635 -99.200 -91.000 HIS 54 0.900 -37.668 64.822 37.413 -99.200 -91.000 HIS 57 0.900 -41.758 67.950 30.945 -99.200 -91.000 PHE 63 1.000 -34.273 51.403 48.486 -99.200 -91.000 HIS 73 0.900 -43.501 55.777 26.999 -99.200 -91.000 HIS 79 0.900 -51.951 48.751 35.082 -99.200 -91.000 TRP 103 1.040 -45.358 47.767 17.423 -99.200 -91.000 TRP6 103 1.020 -47.254 46.362 17.664 -99.200 -91.000 PHE 105 1.000 -40.626 48.722 25.940 -99.200 -91.000 TYR 106 0.840 -49.929 44.576 23.217 -99.200 -91.000 TYR 122 0.840 -57.173 41.696 38.588 -99.200 -91.000 PHE 123 1.000 -55.153 50.269 44.750 -99.200 -91.000 TYR 150 0.840 -54.786 63.406 29.074 -99.200 -91.000 PHE 154 1.000 -53.859 68.054 23.415 -99.200 -91.000 PHE 157 1.000 -52.752 70.155 14.597 -99.200 -91.000 PHE 163 1.000 -58.640 56.112 22.774 -99.200 -91.000 PHE 165 1.000 -57.382 50.183 27.948 -99.200 -91.000 PHE 179 1.000 -48.658 64.676 23.498 -99.200 -91.000 PHE 181 1.000 -48.409 70.593 22.407 -99.200 -91.000 TRP 183 1.040 -46.237 75.705 23.027 -99.200 -91.000 TRP6 183 1.020 -47.659 74.860 21.346 -99.200 -91.000 HIS 187 0.900 -39.112 74.386 30.406 -99.200 -91.000 TYR 211 0.840 -42.129 71.588 13.665 -99.200 -91.000 TYR 218 0.840 -53.804 55.195 16.418 -99.200 -91.000 HIS 225 0.900 -47.223 58.888 25.327 -99.200 -91.000 PHE 228 1.000 -48.225 52.889 26.441 -99.200 -91.000 TYR 235 0.840 -48.418 46.828 36.940 -99.200 -91.000 PHE 245 1.000 -58.112 54.890 37.644 -99.200 -91.000 TYR 246 0.840 -62.606 63.790 32.886 -99.200 -91.000 PHE 248 1.000 -59.593 69.774 31.255 -99.200 -91.000 HIS 252 0.900 -45.580 60.554 32.917 -99.200 -91.000