============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 93 rings ring int. center anis. iso. PHE 5 1.000 -4.648 -16.478 4.626 -99.200 -91.000 PHE 9 1.000 -2.948 -20.444 2.982 -99.200 -91.000 TRP 11 1.040 -2.947 -17.515 -1.378 -99.200 -91.000 TRP6 11 1.020 -4.905 -17.156 -0.109 -99.200 -91.000 TYR 18 0.840 -20.080 -36.102 -16.749 -99.200 -91.000 TRP 34 1.040 -21.987 -38.166 -11.826 -99.200 -91.000 TRP6 34 1.020 -23.910 -36.793 -11.626 -99.200 -91.000 HIS 35 0.900 -22.270 -40.744 -21.895 -99.200 -91.000 PHE 37 1.000 -28.077 -39.638 -11.755 -99.200 -91.000 HIS 39 0.900 -26.036 -38.799 -22.368 -99.200 -91.000 HIS 56 0.900 -9.698 -28.203 -18.757 -99.200 -91.000 TYR 57 0.840 -10.491 -34.974 -24.647 -99.200 -91.000 TRP 60 1.040 -5.598 -29.175 -23.513 -99.200 -91.000 TRP6 60 1.020 -3.263 -28.820 -23.332 -99.200 -91.000 TYR 75 0.840 -6.567 -27.030 -12.703 -99.200 -91.000 PHE 77 1.000 -5.087 -31.980 -12.792 -99.200 -91.000 TRP 81 1.040 -11.182 -46.094 -12.575 -99.200 -91.000 TRP6 81 1.020 -11.931 -46.661 -10.390 -99.200 -91.000 PHE 99 1.000 -7.519 -33.907 -21.229 -99.200 -91.000 TYR 100 0.840 -6.828 -36.519 -17.236 -99.200 -91.000 PHE 115 1.000 -2.558 -29.832 -3.227 -99.200 -91.000 TYR 119 0.840 -15.055 -41.903 -7.602 -99.200 -91.000 HIS 120 0.900 -14.775 -33.637 -7.605 -99.200 -91.000 TRP 121 1.040 -18.111 -36.988 -6.355 -99.200 -91.000 TRP6 121 1.020 -19.644 -35.178 -6.122 -99.200 -91.000 PHE 125 1.000 -23.204 -48.365 -17.420 -99.200 -91.000 TRP 133 1.040 -17.724 -45.849 -5.426 -99.200 -91.000 TRP6 133 1.020 -15.458 -46.086 -4.782 -99.200 -91.000 TRP 141 1.040 -12.767 -54.032 -9.217 -99.200 -91.000 TRP6 141 1.020 -15.120 -53.784 -8.926 -99.200 -91.000 PHE 142 1.000 -9.574 -45.124 -5.461 -99.200 -91.000 TYR 145 0.840 -8.247 -44.254 -11.354 -99.200 -91.000 PHE 150 1.000 -0.940 -43.175 -6.238 -99.200 -91.000 PHE 153 1.000 -1.107 -39.272 -15.313 -99.200 -91.000 TRP 160 1.040 -0.296 -37.996 -6.262 -99.200 -91.000 TRP6 160 1.020 -1.228 -38.750 -8.299 -99.200 -91.000 TRP 167 1.040 -22.501 -37.947 4.243 -99.200 -91.000 TRP6 167 1.020 -24.043 -36.537 3.087 -99.200 -91.000 HIS 174 0.900 -23.832 -45.736 -4.148 -99.200 -91.000 TYR 176 0.840 -29.836 -37.983 1.031 -99.200 -91.000 HIS 179 0.900 -24.651 -35.694 -6.465 -99.200 -91.000 TYR 187 0.840 -30.307 -52.841 5.607 -99.200 -91.000 PHE 190 1.000 -24.917 -45.634 6.904 -99.200 -91.000 HIS 194 0.900 -16.184 -51.036 6.314 -99.200 -91.000 HIS 200 0.900 -7.979 -42.866 2.399 -99.200 -91.000 PHE 207 1.000 1.445 -40.846 -2.584 -99.200 -91.000 PHE 220 1.000 -12.667 -36.879 4.976 -99.200 -91.000 TYR 224 0.840 -21.100 -23.231 12.831 -99.200 -91.000 PHE 225 1.000 -24.564 -30.034 9.658 -99.200 -91.000 PHE 240 1.000 -27.101 -38.760 12.850 -99.200 -91.000 HIS 242 0.900 -18.307 -32.348 13.691 -99.200 -91.000 PHE 244 1.000 -25.140 -39.785 7.875 -99.200 -91.000 TYR 247 0.840 -13.930 -33.163 11.112 -99.200 -91.000 PHE 250 1.000 -16.425 -40.878 4.911 -99.200 -91.000 TYR 255 0.840 -6.