============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. PHE 2 1.000 36.312 12.296 13.767 -99.200 -91.000 PHE 12 1.000 15.731 25.547 -10.899 -99.200 -91.000 TYR 24 0.840 10.638 11.183 -18.355 -99.200 -91.000 TYR 43 0.840 1.289 -9.339 -5.407 -99.200 -91.000 TYR 53 0.840 19.055 -9.350 8.046 -99.200 -91.000 PHE 62 1.000 17.036 -6.856 -9.261 -99.200 -91.000 PHE 71 1.000 24.352 -11.308 -20.080 -99.200 -91.000 PHE 101 1.000 35.112 -10.407 -8.618 -99.200 -91.000 TRP 112 1.040 42.699 1.902 -19.703 -99.200 -91.000 TRP6 112 1.020 43.958 3.668 -20.671 -99.200 -91.000 TRP 118 1.040 27.528 9.502 -12.934 -99.200 -91.000 TRP6 118 1.020 27.831 7.596 -11.561 -99.200 -91.000 HIS 121 0.900 31.444 5.706 -14.876 -99.200 -91.000 PHE 125 1.000 35.266 2.062 -11.895 -99.200 -91.000 TYR 135 0.840 37.141 4.779 -23.349 -99.200 -91.000 TYR 137 0.840 32.316 7.869 -26.241 -99.200 -91.000 TYR 138 0.840 31.580 15.931 -27.881 -99.200 -91.000 HIS 143 0.900 28.763 19.590 -31.997 -99.200 -91.000 PHE 147 1.000 35.399 2.796 -33.503 -99.200 -91.000 PHE 165 1.000 34.142 -0.909 -23.898 -99.200 -91.000 HIS 166 0.900 29.120 5.940 -20.029 -99.200 -91.000 HIS 170 0.900 29.557 8.721 -23.218 -99.200 -91.000 TRP 182 1.040 27.874 -0.850 -29.107 -99.200 -91.000 TRP6 182 1.020 29.042 -0.428 -27.077 -99.200 -91.000 TRP 194 1.040 41.787 -3.605 -23.798 -99.200 -91.000 TRP6 194 1.020 40.594 -2.526 -25.547 -99.200 -91.000 PHE 198 1.000 29.476 -3.500 -22.617 -99.200 -91.000 PHE 200 1.000 22.209 -1.935 -20.949 -99.200 -91.000 TYR 202 0.840 21.206 6.861 -18.211 -99.200 -91.000 PHE 205 1.000 15.082 6.220 -19.899 -99.200 -91.000 PHE 219 1.000 32.797 -5.085 -26.006 -99.200 -91.000 HIS 223 0.900 35.159 -9.576 -24.714 -99.200 -91.000 TYR 232 0.840 16.698 -3.233 -13.242 -99.200 -91.000 PHE 235 1.000 11.506 -1.535 -13.811 -99.200 -91.000 TYR 238 0.840 14.898 8.636 -11.065 -99.200 -91.000 PHE 259 1.000 27.294 -13.879 -7.528 -99.200 -91.000 TYR 270 0.840 25.333 -3.809 -0.386 -99.200 -91.000 HIS 276 0.900 9.000 -0.804 -1.557 -99.200 -91.000 TRP 294 1.040 9.098 -0.846 -16.672 -99.200 -91.000 TRP6 294 1.020 10.453 -2.386 -17.891 -99.200 -91.000 PHE 312 1.000 17.900 22.381 -27.315 -99.200 -91.000 PHE 325 1.000 22.337 24.422 -31.433 -99.200 -91.000 PHE 327 1.000 24.837 19.050 -31.758 -99.200 -91.000 PHE 335 1.000 21.923 13.154 -18.297 -99.200 -91.000 PHE 337 1.000 29.533 17.190 -23.369 -99.200 -91.000 PHE 352 1.000 19.534 35.328 -21.301 -99.200 -91.000 TYR 355 0.840 20.343 27.300 -12.035 -99.200 -91.000