============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. HIS 3 0.900 -32.316 -30.426 -51.475 -99.200 -91.000 TYR 7 0.840 -24.565 -34.003 -47.262 -99.200 -91.000 PHE 18 1.000 -10.979 -14.909 -44.794 -99.200 -91.000 HIS 26 0.900 -26.496 -38.746 -46.715 -99.200 -91.000 PHE 52 1.000 -7.341 -26.761 -51.057 -99.200 -91.000 HIS 63 0.900 -10.619 -40.340 -29.495 -99.200 -91.000 PHE 70 1.000 -20.110 -37.681 -40.480 -99.200 -91.000 TYR 80 0.840 -20.530 -26.195 -50.658 -99.200 -91.000 TYR 85 0.840 -26.032 -30.098 -34.831 -99.200 -91.000 PHE 92 1.000 -16.996 -21.769 -18.135 -99.200 -91.000 TYR 94 0.840 -24.665 -30.050 -19.058 -99.200 -91.000 HIS 98 0.900 -27.978 -27.776 -17.535 -99.200 -91.000 PHE 110 1.000 -9.557 -34.515 -17.321 -99.200 -91.000 TYR 119 0.840 -6.400 -40.379 -32.703 -99.200 -91.000 HIS 121 0.900 -1.028 -33.379 -26.925 -99.200 -91.000 HIS 127 0.900 -6.478 -25.735 -30.698 -99.200 -91.000 PHE 148 1.000 -6.127 -30.588 -29.944 -99.200 -91.000 PHE 150 1.000 -8.427 -29.066 -37.811 -99.200 -91.000 PHE 154 1.000 -8.718 -21.199 -43.272 -99.200 -91.000 PHE 163 1.000 -5.567 -11.530 -29.920 -99.200 -91.000 TYR 169 0.840 -10.314 -22.811 -20.855 -99.200 -91.000 PHE 175 1.000 -0.123 -14.657 -19.188 -99.200 -91.000 TYR 180 0.840 1.469 -20.989 -24.907 -99.200 -91.000 TRP 188 1.040 -2.066 -24.177 -17.263 -99.200 -91.000 TRP6 188 1.020 -0.997 -24.038 -15.122 -99.200 -91.000 TYR 195 0.840 -10.737 -25.269 -9.892 -99.200 -91.000 PHE 204 1.000 -4.706 -21.152 -12.289 -99.200 -91.000 TYR 221 0.840 -5.113 -25.523 -8.301 -99.200 -91.000 PHE 225 1.000 -18.767 -28.174 0.652 -99.200 -91.000 TYR 226 0.840 -17.673 -28.774 -4.561 -99.200 -91.000 PHE 238 1.000 -4.386 -33.290 -16.115 -99.200 -91.000 TRP 257 1.040 -11.158 -38.201 -9.592 -99.200 -91.000 TRP6 257 1.020 -11.803 -37.410 -11.740 -99.200 -91.000 HIS 262 0.900 -13.835 -46.410 -16.069 -99.200 -91.000 PHE 270 1.000 -9.205 -44.440 -30.561 -99.200 -91.000 TYR 291 0.840 -24.234 -44.312 -53.986 -99.200 -91.000 TYR 305 0.840 -12.321 -38.628 -45.470 -99.200 -91.000 TYR 312 0.840 -19.419 -48.904 -45.153 -99.200 -91.000