============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 10 1.000 34.015 -40.613 1.309 -99.200 -91.000 TRP 11 1.040 33.108 -45.754 -0.642 -99.200 -91.000 TRP6 11 1.020 31.055 -46.584 0.238 -99.200 -91.000 PHE 15 1.000 26.156 -33.151 -2.191 -99.200 -91.000 TYR 30 0.840 34.355 -41.587 -14.944 -99.200 -91.000 TYR 32 0.840 35.720 -42.979 -8.234 -99.200 -91.000 HIS 51 0.900 33.060 -24.028 -2.511 -99.200 -91.000 HIS 59 0.900 36.873 -31.957 -21.049 -99.200 -91.000 TYR 73 0.840 33.081 -28.675 -18.778 -99.200 -91.000 TRP 78 1.040 31.801 -35.512 -23.630 -99.200 -91.000 TRP6 78 1.020 32.848 -34.309 -21.859 -99.200 -91.000 TYR 90 0.840 8.386 -21.417 -17.390 -99.200 -91.000 PHE 97 1.000 11.716 -24.232 -7.926 -99.200 -91.000 TRP 98 1.040 10.671 -28.769 -9.866 -99.200 -91.000 TRP6 98 1.020 9.740 -28.951 -7.698 -99.200 -91.000 TYR 101 0.840 12.340 -28.930 -3.079 -99.200 -91.000 TYR 107 0.840 24.804 -34.115 2.678 -99.200 -91.000 TRP 114 1.040 22.555 -37.716 10.762 -99.200 -91.000 TRP6 114 1.020 22.499 -38.798 8.654 -99.200 -91.000 PHE 128 1.000 14.304 -37.039 3.627 -99.200 -91.000 TYR 144 0.840 13.757 -43.156 -16.420 -99.200 -91.000 PHE 145 1.000 11.589 -36.409 -10.226 -99.200 -91.000 PHE 152 1.000 20.876 -30.178 -13.783 -99.200 -91.000 PHE 160 1.000 21.143 -36.075 -2.247 -99.200 -91.000 TYR 161 0.840 16.470 -46.189 -3.529 -99.200 -91.000 TRP 163 1.040 24.076 -40.919 1.362 -99.200 -91.000 TRP6 163 1.020 25.023 -39.389 2.926 -99.200 -91.000 PHE 164 1.000 15.388 -42.034 0.087 -99.200 -91.000 TYR 167 0.840 18.865 -39.374 4.074 -99.200 -91.000 PHE 170 1.000 22.367 -44.327 11.422 -99.200 -91.000 PHE 182 1.000 12.126 -40.027 -3.896 -99.200 -91.000 TRP 185 1.040 12.385 -41.466 -10.336 -99.200 -91.000 TRP6 185 1.020 13.940 -40.638 -8.725 -99.200 -91.000 TYR 206 0.840 22.296 -48.996 8.655 -99.200 -91.000 PHE 208 1.000 30.696 -42.989 4.644 -99.200 -91.000