============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 2 1.000 39.027 46.791 19.409 -99.200 -91.000 PHE 7 1.000 44.345 34.380 16.928 -99.200 -91.000 TRP 30 1.040 59.296 17.663 19.768 -99.200 -91.000 TRP6 30 1.020 58.595 16.559 21.747 -99.200 -91.000 TYR 36 0.840 61.467 23.783 12.868 -99.200 -91.000 HIS 40 0.900 70.592 33.534 19.675 -99.200 -91.000 TYR 53 0.840 75.512 31.908 13.815 -99.200 -91.000 HIS 63 0.900 77.782 13.023 20.891 -99.200 -91.000 PHE 65 1.000 72.983 21.180 18.769 -99.200 -91.000 HIS 79 0.900 74.170 18.270 14.014 -99.200 -91.000 TYR 100 0.840 53.429 22.108 11.842 -99.200 -91.000 PHE 102 1.000 57.186 25.946 10.062 -99.200 -91.000 PHE 111 1.000 53.785 38.572 15.592 -99.200 -91.000 TYR 117 0.840 61.189 34.455 29.799 -99.200 -91.000 TYR 125 0.840 53.899 39.687 24.370 -99.200 -91.000 HIS 133 0.900 60.723 45.117 7.356 -99.200 -91.000 PHE 139 1.000 60.106 38.582 22.967 -99.200 -91.000 PHE 149 1.000 50.355 31.523 19.125 -99.200 -91.000 TYR 153 0.840 37.899 28.902 10.625 -99.200 -91.000 PHE 158 1.000 53.783 27.154 15.395 -99.200 -91.000 TYR 160 0.840 59.353 37.362 16.152 -99.200 -91.000 HIS 162 0.900 62.970 38.020 20.875 -99.200 -91.000 HIS 163 0.900 66.428 34.174 15.638 -99.200 -91.000 HIS 171 0.900 61.735 42.974 22.195 -99.200 -91.000 PHE 180 1.000 67.399 37.782 12.296 -99.200 -91.000 TYR 181 0.840 58.917 37.952 9.808 -99.200 -91.000 PHE 184 1.000 66.396 44.708 12.273 -99.200 -91.000 TRP 206 1.040 41.323 51.570 17.859 -99.200 -91.000 TRP6 206 1.020 42.030 53.749 18.422 -99.200 -91.000 TYR 208 0.840 35.415 52.111 8.733 -99.200 -91.000 TRP 217 1.040 35.299 61.350 20.136 -99.200 -91.000 TRP6 217 1.020 36.907 62.996 19.541 -99.200 -91.000 PHE 218 1.000 35.654 58.393 15.779 -99.200 -91.000 PHE 222 1.000 34.344 69.395 6.860 -99.200 -91.000 PHE 229 1.000 44.921 59.654 5.240 -99.200 -91.000 TYR 236 0.840 49.817 65.414 11.734 -99.200 -91.000 TYR 238 0.840 48.820 58.068 11.277 -99.200 -91.000 HIS 245 0.900 47.198 49.902 2.688 -99.200 -91.000 PHE 290 1.000 43.186 46.502 18.934 -99.200 -91.000 PHE 293 1.000 41.125 37.538 10.992 -99.200 -91.000