============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. HIS 1 0.900 -42.278 30.836 17.057 -99.200 -91.000 HIS 2 0.900 -37.197 23.874 22.075 -99.200 -91.000 HIS 3 0.900 -39.858 26.524 15.917 -99.200 -91.000 TYR 7 0.840 -33.852 14.309 12.800 -99.200 -91.000 PHE 8 1.000 -34.228 8.152 16.593 -99.200 -91.000 TYR 34 0.840 -31.106 -5.682 11.035 -99.200 -91.000 PHE 47 1.000 -35.852 -0.264 5.699 -99.200 -91.000 PHE 55 1.000 -35.720 -6.884 -7.583 -99.200 -91.000 PHE 59 1.000 -38.269 -9.768 -4.559 -99.200 -91.000 PHE 62 1.000 -33.556 -6.372 3.311 -99.200 -91.000 HIS 67 0.900 -44.951 -8.640 1.372 -99.200 -91.000 TYR 71 0.840 -36.621 -4.655 -3.046 -99.200 -91.000 TYR 89 0.840 -30.758 7.090 -12.800 -99.200 -91.000 TRP 95 1.040 -24.749 -1.456 -24.398 -99.200 -91.000 TRP6 95 1.020 -24.797 -3.592 -25.407 -99.200 -91.000 TYR 109 0.840 -17.807 -8.959 -23.549 -99.200 -91.000 PHE 110 1.000 -20.626 -10.314 -15.642 -99.200 -91.000 PHE 116 1.000 -31.656 -10.802 -19.533 -99.200 -91.000 PHE 118 1.000 -26.617 -8.995 -22.339 -99.200 -91.000 PHE 127 1.000 -18.692 -17.731 -21.375 -99.200 -91.000 HIS 128 0.900 -14.259 -23.232 -16.679 -99.200 -91.000 TYR 134 0.840 -15.719 -16.237 -9.962 -99.200 -91.000 PHE 136 1.000 -21.372 -14.485 -11.291 -99.200 -91.000 PHE 154 1.000 -18.341 -4.567 -21.039 -99.200 -91.000 PHE 157 1.000 -13.776 -14.106 -14.488 -99.200 -91.000 HIS 158 0.900 -6.894 -12.827 -15.560 -99.200 -91.000 PHE 170 1.000 -12.865 -1.758 -20.390 -99.200 -91.000 TRP 174 1.040 -14.295 1.859 -22.686 -99.200 -91.000 TRP6 174 1.020 -15.654 2.706 -24.398 -99.200 -91.000 HIS 179 0.900 -18.163 5.014 -11.041 -99.200 -91.000 TRP 187 1.040 -15.691 -9.654 -9.848 -99.200 -91.000 TRP6 187 1.020 -16.532 -11.221 -11.390 -99.200 -91.000 TRP 198 1.040 -28.433 12.950 -2.787 -99.200 -91.000 TRP6 198 1.020 -29.946 12.591 -1.027 -99.200 -91.000 TYR 203 0.840 -37.655 8.209 -9.731 -99.200 -91.000 PHE 208 1.000 -42.662 7.311 -2.649 -99.200 -91.000 PHE 218 1.000 -30.049 3.450 9.931 -99.200 -91.000 TYR 234 0.840 -28.372 7.047 13.479 -99.200 -91.000 HIS 249 0.900 -26.790 11.660 15.500 -99.200 -91.000 TYR 254 0.840 -20.949 -7.244 9.920 -99.200 -91.000 TRP 255 1.040 -19.254 -7.016 15.346 -99.200 -91.000 TRP6 255 1.020 -18.026 -5.883 13.693 -99.200 -91.000 PHE 266 1.000 -36.092 6.161 13.020 -99.200 -91.000