============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TRP 7 1.040 13.045 -23.211 -6.813 -99.200 -91.000 TRP6 7 1.020 14.337 -22.994 -8.785 -99.200 -91.000 TRP 26 1.040 -5.642 -36.331 -4.012 -99.200 -91.000 TRP6 26 1.020 -5.586 -37.167 -6.236 -99.200 -91.000 PHE 28 1.000 -6.224 -27.752 -6.057 -99.200 -91.000 TRP 38 1.040 5.153 -26.922 -19.521 -99.200 -91.000 TRP6 38 1.020 5.859 -28.706 -20.925 -99.200 -91.000 PHE 39 1.000 9.204 -20.249 -15.330 -99.200 -91.000 HIS 43 0.900 8.432 -26.482 -21.830 -99.200 -91.000 PHE 72 1.000 4.242 -36.246 -9.129 -99.200 -91.000 TRP 74 1.040 -4.468 -42.116 -13.855 -99.200 -91.000 TRP6 74 1.020 -4.829 -40.127 -15.104 -99.200 -91.000 TYR 84 0.840 -5.827 -34.087 -20.802 -99.200 -91.000 TYR 89 0.840 -10.704 -32.863 -16.982 -99.200 -91.000 TYR 91 0.840 -10.858 -28.037 -7.783 -99.200 -91.000 HIS 106 0.900 -10.603 -32.675 -20.890 -99.200 -91.000 HIS 115 0.900 6.893 -40.521 -8.940 -99.200 -91.000 TRP 128 1.040 16.051 -33.325 -6.573 -99.200 -91.000 TRP6 128 1.020 14.110 -32.274 -7.441 -99.200 -91.000 TRP 144 1.040 0.170 -26.547 8.757 -99.200 -91.000 TRP6 144 1.020 0.761 -26.653 6.476 -99.200 -91.000 TYR 147 0.840 1.267 -19.533 9.164 -99.200 -91.000 HIS 162 0.900 -3.303 -29.851 2.913 -99.200 -91.000 TYR 169 0.840 17.057 -23.793 0.990 -99.200 -91.000 TYR 177 0.840 11.899 -18.535 6.253 -99.200 -91.000 TRP 178 1.040 11.540 -27.176 5.020 -99.200 -91.000 TRP6 178 1.020 12.835 -27.665 3.108 -99.200 -91.000 TRP 184 1.040 -6.180 -25.222 2.859 -99.200 -91.000 TRP6 184 1.020 -5.419 -25.403 5.094 -99.200 -91.000 TRP 188 1.040 -4.124 -20.787 6.163 -99.200 -91.000 TRP6 188 1.020 -2.085 -21.691 5.370 -99.200 -91.000 TYR 193 0.840 3.298 -19.251 -1.506 -99.200 -91.000