============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 25 1.040 -13.996 -11.527 -50.838 -99.200 -91.000 TRP6 25 1.020 -15.082 -10.517 -52.677 -99.200 -91.000 TYR 43 0.840 -5.020 -10.634 -68.412 -99.200 -91.000 HIS 45 0.900 1.362 -8.020 -58.870 -99.200 -91.000 TYR 51 0.840 -11.261 -9.044 -56.927 -99.200 -91.000 TYR 66 0.840 -4.210 -21.343 -48.568 -99.200 -91.000 TYR 70 0.840 -0.785 -6.252 -53.747 -99.200 -91.000 HIS 78 0.900 -10.528 -14.622 -38.656 -99.200 -91.000 TYR 85 0.840 -9.045 -18.273 -32.861 -99.200 -91.000 PHE 94 1.000 -8.961 -19.737 -37.913 -99.200 -91.000 PHE 119 1.000 -3.690 -34.687 -32.441 -99.200 -91.000 HIS 124 0.900 -6.369 -24.006 -35.350 -99.200 -91.000 TYR 132 0.840 -16.759 -16.849 -25.444 -99.200 -91.000 TYR 145 0.840 6.051 -19.727 -38.341 -99.200 -91.000 PHE 147 1.000 5.166 -23.666 -27.858 -99.200 -91.000 PHE 149 1.000 2.293 -17.445 -35.904 -99.200 -91.000 HIS 155 0.900 1.559 -14.214 -23.017 -99.200 -91.000 TYR 166 0.840 3.621 -28.090 -20.912 -99.200 -91.000 PHE 173 1.000 0.522 -33.851 -21.102 -99.200 -91.000 TYR 186 0.840 -3.248 -35.025 -37.024 -99.200 -91.000 HIS 191 0.900 -6.698 -45.076 -37.293 -99.200 -91.000 PHE 193 1.000 -1.402 -39.079 -32.940 -99.200 -91.000 HIS 208 0.900 -15.396 -32.405 -26.923 -99.200 -91.000 TYR 209 0.840 -11.596 -40.411 -33.001 -99.200 -91.000 HIS 210 0.900 -12.483 -32.363 -34.285 -99.200 -91.000 PHE 223 1.000 -18.878 -45.722 -30.716 -99.200 -91.000 PHE 226 1.000 -12.408 -43.246 -29.280 -99.200 -91.000 TYR 233 0.840 -4.748 -49.628 -25.053 -99.200 -91.000 TYR 235 0.840 -8.681 -48.152 -20.102 -99.200 -91.000 TYR 248 0.840 -11.521 -33.425 -46.582 -99.200 -91.000 TRP 253 1.040 -19.777 -36.946 -44.796 -99.200 -91.000 TRP6 253 1.020 -20.982 -35.052 -44.072 -99.200 -91.000 HIS 254 0.900 -13.287 -32.498 -39.637 -99.200 -91.000 PHE 262 1.000 -18.188 -44.382 -18.954 -99.200 -91.000