============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. HIS 1 0.900 -3.370 132.362 -7.690 -99.200 -91.000 TYR 9 0.840 21.434 129.258 -13.573 -99.200 -91.000 TYR 27 0.840 15.528 131.550 -7.835 -99.200 -91.000 PHE 33 1.000 17.092 128.868 -3.671 -99.200 -91.000 HIS 44 0.900 16.814 96.319 -19.123 -99.200 -91.000 TYR 57 0.840 35.636 119.519 -13.817 -99.200 -91.000 TYR 80 0.840 3.538 121.981 -15.305 -99.200 -91.000 TYR 123 0.840 3.521 129.133 -2.085 -99.200 -91.000 TYR 129 0.840 10.173 116.536 8.738 -99.200 -91.000 TYR 131 0.840 5.719 119.608 -1.176 -99.200 -91.000 PHE 135 1.000 -1.629 112.890 9.913 -99.200 -91.000 HIS 153 0.900 33.758 100.033 -3.572 -99.200 -91.000 PHE 160 1.000 30.618 88.623 1.621 -99.200 -91.000 PHE 163 1.000 33.213 93.242 5.266 -99.200 -91.000 PHE 173 1.000 19.907 109.455 13.074 -99.200 -91.000 TYR 179 0.840 23.828 103.239 21.100 -99.200 -91.000 PHE 184 1.000 34.927 106.385 11.278 -99.200 -91.000 HIS 185 0.900 35.340 109.126 16.013 -99.200 -91.000 PHE 206 1.000 38.522 103.828 9.633 -99.200 -91.000 PHE 210 1.000 40.296 94.561 8.802 -99.200 -91.000 TYR 229 0.840 27.560 101.760 22.157 -99.200 -91.000 PHE 236 1.000 21.109 92.487 15.676 -99.200 -91.000 PHE 239 1.000 28.676 90.171 5.804 -99.200 -91.000 PHE 246 1.000 31.716 87.822 -4.795 -99.200 -91.000 TYR 247 0.840 26.841 84.305 -11.272 -99.200 -91.000 TYR 252 0.840 27.121 83.931 -6.784 -99.200 -91.000 TYR 254 0.840 33.107 84.188 -2.422 -99.200 -91.000 PHE 257 1.000 36.558 91.659 -5.956 -99.200 -91.000 TYR 273 0.840 31.393 82.817 2.611 -99.200 -91.000 TYR 281 0.840 31.550 86.236 11.907 -99.200 -91.000 TRP 295 1.040 16.124 87.682 -11.898 -99.200 -91.000 TRP6 295 1.020 14.343 88.893 -10.899 -99.200 -91.000 TRP 298 1.040 19.207 88.006 -6.112 -99.200 -91.000 TRP6 298 1.020 19.146 89.341 -4.168 -99.200 -91.000 PHE 316 1.000 16.908 90.265 -7.701 -99.200 -91.000 PHE 317 1.000 14.519 93.842 -6.167 -99.200 -91.000 TYR 323 0.840 15.178 94.675 -14.002 -99.200 -91.000 PHE 350 1.000 8.463 110.255 -1.588 -99.200 -91.000 TYR 361 0.840 10.205 92.310 -1.417 -99.200 -91.000 HIS 367 0.900 26.137 106.054 0.812 -99.200 -91.000 TYR 403 0.840 24.973 108.990 9.092 -99.200 -91.000 TYR 419 0.840 16.965 104.402 15.938 -99.200 -91.000 PHE 425 1.000 16.237 95.787 10.057 -99.200 -91.000 TYR 426 0.840 8.241 97.258 6.527 -99.200 -91.000