============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. HIS 5 0.900 5.105 2.738 -16.141 -99.200 -91.000 TYR 15 0.840 -14.934 15.982 -24.015 -99.200 -91.000 PHE 18 1.000 -10.211 8.580 -24.435 -99.200 -91.000 TYR 22 0.840 -19.102 10.444 -17.518 -99.200 -91.000 TYR 35 0.840 -22.587 -4.535 -6.679 -99.200 -91.000 TYR 38 0.840 -32.756 -2.576 -5.599 -99.200 -91.000 TYR 41 0.840 -22.344 -3.403 -10.361 -99.200 -91.000 TRP 50 1.040 -8.559 3.274 -2.576 -99.200 -91.000 TRP6 50 1.020 -6.406 3.806 -1.815 -99.200 -91.000 HIS 51 0.900 -8.136 -1.308 -2.754 -99.200 -91.000 TRP 56 1.040 3.435 5.666 -8.331 -99.200 -91.000 TRP6 56 1.020 3.670 7.770 -7.249 -99.200 -91.000 HIS 59 0.900 10.075 5.706 -1.628 -99.200 -91.000 TYR 66 0.840 1.840 3.788 -18.730 -99.200 -91.000 TYR 70 0.840 -8.756 -5.889 -10.253 -99.200 -91.000 PHE 72 1.000 -1.397 -9.071 -16.707 -99.200 -91.000 PHE 76 1.000 -10.123 -10.794 -10.794 -99.200 -91.000 PHE 88 1.000 -11.714 -7.409 -14.892 -99.200 -91.000 PHE 90 1.000 -20.736 -0.978 -14.220 -99.200 -91.000 HIS 95 0.900 -11.006 -3.152 -21.796 -99.200 -91.000 PHE 98 1.000 -17.566 2.286 -25.859 -99.200 -91.000 TRP 100 1.040 -12.115 2.452 -28.640 -99.200 -91.000 TRP6 100 1.020 -11.850 4.306 -27.221 -99.200 -91.000 PHE 107 1.000 -8.785 -2.156 -14.751 -99.200 -91.000 TRP 125 1.040 -9.597 9.551 -16.894 -99.200 -91.000 TRP6 125 1.020 -9.576 9.041 -19.237 -99.200 -91.000 TYR 152 0.840 -0.828 1.547 8.229 -99.200 -91.000 PHE 156 1.000 -0.883 2.948 2.273 -99.200 -91.000 PHE 157 1.000 -3.499 7.439 1.947 -99.200 -91.000 HIS 174 0.900 -13.169 4.637 3.618 -99.200 -91.000 HIS 180 0.900 -19.644 -4.750 0.781 -99.200 -91.000 TYR 186 0.840 -12.262 -3.672 9.644 -99.200 -91.000 TRP 190 1.040 -16.947 4.287 6.304 -99.200 -91.000 TRP6 190 1.020 -16.804 2.807 4.437 -99.200 -91.000 PHE 197 1.000 -17.453 12.458 -3.564 -99.200 -91.000 PHE 201 1.000 -14.720 9.526 6.454 -99.200 -91.000 TYR 202 0.840 -14.396 14.714 5.141 -99.200 -91.000 TRP 210 1.040 -18.385 8.086 15.559 -99.200 -91.000 TRP6 210 1.020 -19.336 6.782 13.813 -99.200 -91.000 TRP 222 1.040 -13.478 3.669 16.601 -99.200 -91.000 TRP6 222 1.020 -13.666 4.397 18.859 -99.200 -91.000 TYR 228 0.840 -25.265 6.486 9.807 -99.200 -91.000 TYR 235 0.840 -13.057 7.389 16.874 -99.200 -91.000 TYR 243 0.840 -4.239 12.499 9.323 -99.200 -91.000 TYR 250 0.840 -11.367 18.645 3.231 -99.200 -91.000 PHE 257 1.000 -15.177 15.764 0.332 -99.200 -91.000 PHE 258 1.000 -18.901 17.835 -4.061 -99.200 -91.000 PHE 261 1.000 -12.707 12.405 -3.945 -99.200 -91.000 PHE 265 1.000 -10.871 9.169 -7.513 -99.200 -91.000 PHE 275 1.000 -0.677 12.336 -17.951 -99.200 -91.000 PHE 283 1.000 -9.691 14.013 -23.258 -99.200 -91.000 PHE 285 1.000 -14.400 12.189 -20.053 -99.200 -91.000