============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 9 1.000 6.719 9.330 3.143 -99.200 -91.000 TYR 11 0.840 12.437 10.064 6.380 -99.200 -91.000 HIS 15 0.900 20.884 7.943 14.710 -99.200 -91.000 TYR 27 0.840 15.745 6.495 -12.292 -99.200 -91.000 PHE 30 1.000 11.761 -2.923 1.092 -99.200 -91.000 PHE 31 1.000 5.661 3.158 1.534 -99.200 -91.000 TYR 32 0.840 11.344 -1.680 6.864 -99.200 -91.000 PHE 42 1.000 12.753 -5.121 -3.403 -99.200 -91.000 PHE 46 1.000 18.477 -2.258 -4.202 -99.200 -91.000 PHE 52 1.000 18.157 -2.615 -9.535 -99.200 -91.000 TYR 66 0.840 6.969 -0.393 11.786 -99.200 -91.000 TRP 74 1.040 11.806 1.265 12.114 -99.200 -91.000 TRP6 74 1.020 12.444 3.354 13.093 -99.200 -91.000 TYR 80 0.840 21.099 -6.795 12.798 -99.200 -91.000 TRP 84 1.040 18.542 -0.024 0.600 -99.200 -91.000 TRP6 84 1.020 16.654 -1.455 0.546 -99.200 -91.000 TRP 88 1.040 7.470 4.571 13.269 -99.200 -91.000 TRP6 88 1.020 7.522 5.432 15.495 -99.200 -91.000 TYR 100 0.840 3.379 6.897 -1.135 -99.200 -91.000 TYR 109 0.840 3.565 3.255 -4.288 -99.200 -91.000 TYR 129 0.840 11.306 2.998 -15.673 -99.200 -91.000