============================================================================= 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 3 0.840 32.908 22.918 3.979 -99.200 -91.000 TYR 7 0.840 16.818 21.890 4.887 -99.200 -91.000 PHE 8 1.000 12.748 20.027 1.245 -99.200 -91.000 TRP 28 1.040 26.888 27.450 2.956 -99.200 -91.000 TRP6 28 1.020 27.354 29.098 4.623 -99.200 -91.000 TRP 38 1.040 10.957 16.217 -1.208 -99.200 -91.000 TRP6 38 1.020 13.157 15.316 -1.114 -99.200 -91.000 TYR 49 0.840 19.721 7.255 6.475 -99.200 -91.000 PHE 55 1.000 28.247 19.989 4.335 -99.200 -91.000 TYR 63 0.840 22.230 11.828 1.480 -99.200 -91.000 HIS 71 0.900 32.738 15.937 7.633 -99.200 -91.000 TYR 79 0.840 32.818 15.705 18.455 -99.200 -91.000 TYR 103 0.840 10.517 24.849 16.485 -99.200 -91.000 TYR 111 0.840 2.041 27.303 16.079 -99.200 -91.000 TYR 118 0.840 7.117 22.828 22.461 -99.200 -91.000 PHE 129 1.000 19.732 22.099 26.403 -99.200 -91.000 PHE 142 1.000 33.049 29.551 23.703 -99.200 -91.000 PHE 150 1.000 29.035 18.388 17.607 -99.200 -91.000 TYR 153 0.840 29.148 27.490 15.837 -99.200 -91.000 HIS 162 0.900 12.319 25.998 21.448 -99.200 -91.000 PHE 173 1.000 15.029 28.798 32.197 -99.200 -91.000 TYR 179 0.840 25.341 29.638 24.894 -99.200 -91.000 PHE 192 1.000 24.351 32.644 8.372 -99.200 -91.000 TYR 198 0.840 19.313 33.669 10.639 -99.200 -91.000