============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 17 1.000 59.555 45.009 -5.891 -99.200 -91.000 PHE 30 1.000 58.837 38.199 -8.007 -99.200 -91.000 TYR 33 0.840 70.971 37.112 -5.896 -99.200 -91.000 TRP 38 1.040 80.007 53.010 -4.797 -99.200 -91.000 TRP6 38 1.020 77.727 52.887 -5.307 -99.200 -91.000 PHE 41 1.000 83.813 52.829 -10.737 -99.200 -91.000 TRP 88 1.040 76.269 31.561 3.979 -99.200 -91.000 TRP6 88 1.020 75.534 33.751 4.484 -99.200 -91.000 PHE 117 1.000 92.275 49.899 -1.866 -99.200 -91.000 TYR 127 0.840 72.432 47.928 5.077 -99.200 -91.000 TYR 137 0.840 83.377 45.015 14.767 -99.200 -91.000 TRP 140 1.040 94.157 48.291 10.677 -99.200 -91.000 TRP6 140 1.020 94.495 47.443 8.500 -99.200 -91.000 HIS 142 0.900 88.218 55.202 10.702 -99.200 -91.000 TYR 151 0.840 99.826 52.109 -0.256 -99.200 -91.000 TYR 191 0.840 89.960 43.170 -17.329 -99.200 -91.000 TYR 225 0.840 56.259 50.290 3.998 -99.200 -91.000 PHE 253 1.000 61.245 77.103 -19.425 -99.200 -91.000