============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TYR 9 0.840 141.775 101.024 -42.601 -99.200 -91.000 TYR 13 0.840 133.254 103.183 -48.365 -99.200 -91.000 PHE 15 1.000 132.691 100.269 -39.220 -99.200 -91.000 PHE 19 1.000 129.556 100.579 -28.361 -99.200 -91.000 HIS 21 0.900 125.416 108.272 -24.890 -99.200 -91.000 TYR 32 0.840 131.065 102.050 -25.127 -99.200 -91.000 PHE 40 1.000 131.174 97.179 -17.785 -99.200 -91.000 TRP 52 1.040 127.223 106.371 -35.328 -99.200 -91.000 TRP6 52 1.020 125.623 108.050 -35.767 -99.200 -91.000 TYR 69 0.840 139.638 84.067 -24.369 -99.200 -91.000 HIS 74 0.900 144.628 83.621 -20.931 -99.200 -91.000 HIS 84 0.900 125.078 74.642 -18.660 -99.200 -91.000 HIS 85 0.900 125.796 78.998 -20.702 -99.200 -91.000 HIS 99 0.900 129.904 80.590 -34.495 -99.200 -91.000 TYR 111 0.840 125.387 82.950 -36.450 -99.200 -91.000 PHE 118 1.000 141.164 74.789 -36.798 -99.200 -91.000 HIS 120 0.900 133.483 79.443 -32.719 -99.200 -91.000 HIS 139 0.900 118.892 95.695 -31.739 -99.200 -91.000 TYR 140 0.840 126.860 92.390 -33.196 -99.200 -91.000 TYR 142 0.840 128.797 90.151 -26.864 -99.200 -91.000 TYR 145 0.840 125.907 84.870 -16.760 -99.200 -91.000 PHE 176 1.000 131.930 96.100 -28.767 -99.200 -91.000