============================================================================= 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 -29.316 45.457 -0.822 -99.200 -91.000 TYR 21 0.840 -30.549 33.283 -20.077 -99.200 -91.000 TYR 30 0.840 -21.427 28.043 -9.631 -99.200 -91.000 TRP 39 1.040 -28.425 17.997 5.185 -99.200 -91.000 TRP6 39 1.020 -30.483 18.623 6.161 -99.200 -91.000 TYR 42 0.840 -30.599 21.233 10.277 -99.200 -91.000 HIS 50 0.900 -24.594 9.527 23.732 -99.200 -91.000 PHE 66 1.000 -16.092 28.924 -0.757 -99.200 -91.000 HIS 70 0.900 -11.631 28.008 -7.742 -99.200 -91.000 HIS 81 0.900 -10.078 33.748 -12.708 -99.200 -91.000 PHE 83 1.000 -10.720 22.920 -13.973 -99.200 -91.000 PHE 85 1.000 -11.348 18.378 -4.887 -99.200 -91.000 TRP 93 1.040 -9.615 12.961 5.829 -99.200 -91.000 TRP6 93 1.020 -11.673 14.098 5.602 -99.200 -91.000 TYR 101 0.840 -16.375 6.897 10.337 -99.200 -91.000 PHE 111 1.000 -32.007 0.551 0.717 -99.200 -91.000 HIS 124 0.900 -28.651 6.898 5.891 -99.200 -91.000 PHE 153 1.000 -14.427 15.387 -1.816 -99.200 -91.000 TYR 160 0.840 -17.750 11.048 5.706 -99.200 -91.000 PHE 161 1.000 -21.916 13.670 3.620 -99.200 -91.000 PHE 162 1.000 -24.872 2.922 3.704 -99.200 -91.000 TYR 167 0.840 -18.090 6.150 14.067 -99.200 -91.000 TYR 170 0.840 -20.013 1.693 17.025 -99.200 -91.000 TYR 179 0.840 -36.761 -3.258 0.618 -99.200 -91.000