============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. HIS 16 0.900 38.077 26.371 5.828 -99.200 -91.000 TYR 30 0.840 48.358 3.634 0.826 -99.200 -91.000 TYR 36 0.840 38.056 2.823 9.054 -99.200 -91.000 TYR 37 0.840 45.057 5.350 9.887 -99.200 -91.000 PHE 62 1.000 33.466 11.912 11.815 -99.200 -91.000 TRP 72 1.040 33.582 -2.763 12.005 -99.200 -91.000 TRP6 72 1.020 34.268 -0.522 11.677 -99.200 -91.000 TYR 78 0.840 28.038 8.031 15.934 -99.200 -91.000 PHE 91 1.000 37.473 14.128 29.406 -99.200 -91.000 PHE 97 1.000 30.522 7.227 26.237 -99.200 -91.000 TYR 112 0.840 48.967 8.045 19.612 -99.200 -91.000 TYR 113 0.840 52.583 0.566 12.868 -99.200 -91.000 HIS 115 0.900 57.660 -5.049 19.367 -99.200 -91.000 PHE 117 1.000 49.688 2.555 20.418 -99.200 -91.000 HIS 118 0.900 49.070 -6.288 23.196 -99.200 -91.000 PHE 134 1.000 50.612 6.702 26.728 -99.200 -91.000 TYR 136 0.840 56.749 10.681 19.219 -99.200 -91.000 HIS 137 0.900 63.320 14.961 21.325 -99.200 -91.000 TYR 144 0.840 52.505 19.079 18.845 -99.200 -91.000 PHE 149 1.000 59.492 13.991 31.188 -99.200 -91.000 TYR 169 0.840 61.086 13.820 25.820 -99.200 -91.000 TYR 175 0.840 45.052 13.907 26.142 -99.200 -91.000 PHE 176 1.000 44.688 5.100 28.261 -99.200 -91.000 TYR 177 0.840 41.989 12.532 31.407 -99.200 -91.000 TYR 205 0.840 43.350 13.493 36.870 -99.200 -91.000 TYR 220 0.840 55.755 2.731 20.913 -99.200 -91.000 TRP 222 1.040 51.398 11.753 18.470 -99.200 -91.000 TRP6 222 1.020 52.096 13.861 19.211 -99.200 -91.000 HIS 228 0.900 46.561 22.098 3.280 -99.200 -91.000 PHE 237 1.000 55.396 5.783 9.624 -99.200 -91.000 TYR 257 0.840 39.432 -13.388 12.888 -99.200 -91.000 TRP 261 1.040 36.598 -7.201 21.432 -99.200 -91.000 TRP6 261 1.020 37.479 -5.009 21.320 -99.200 -91.000 TYR 279 0.840 39.814 -2.153 4.658 -99.200 -91.000 TYR 282 0.840 44.740 -6.944 5.682 -99.200 -91.000 TYR 292 0.840 53.544 -16.909 13.817 -99.200 -91.000