============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 69 rings ring int. center anis. iso. HIS 1 0.900 12.414 -15.194 -44.663 -99.200 -91.000 TYR 4 0.840 20.721 -11.642 -33.157 -99.200 -91.000 TRP 6 1.040 26.052 -13.932 -35.184 -99.200 -91.000 TRP6 6 1.020 25.669 -12.149 -33.678 -99.200 -91.000 HIS 33 0.900 26.931 -24.800 0.480 -99.200 -91.000 HIS 34 0.900 32.090 -17.963 0.037 -99.200 -91.000 TYR 38 0.840 26.718 -18.682 -13.134 -99.200 -91.000 PHE 54 1.000 15.889 -18.751 -33.298 -99.200 -91.000 HIS 63 0.900 -8.872 -18.941 -35.391 -99.200 -91.000 TYR 64 0.840 -0.757 -12.357 -36.804 -99.200 -91.000 HIS 95 0.900 25.110 7.189 -11.865 -99.200 -91.000 PHE 101 1.000 27.320 10.796 -32.701 -99.200 -91.000 TYR 103 0.840 25.027 14.175 -26.117 -99.200 -91.000 HIS 118 0.900 23.831 13.927 -31.056 -99.200 -91.000 HIS 120 0.900 16.330 20.894 -30.216 -99.200 -91.000 TRP 123 1.040 12.144 15.496 -33.612 -99.200 -91.000 TRP6 123 1.020 11.061 13.618 -32.680 -99.200 -91.000 PHE 145 1.000 21.561 -15.604 -14.263 -99.200 -91.000 PHE 157 1.000 24.073 0.129 -25.432 -99.200 -91.000 TYR 171 0.840 7.385 8.017 -20.498 -99.200 -91.000 TYR 186 0.840 0.626 -3.290 -19.955 -99.200 -91.000 PHE 188 1.000 5.599 -5.416 -17.777 -99.200 -91.000 TYR 190 0.840 -3.355 -6.045 -13.081 -99.200 -91.000 PHE 198 1.000 -6.479 -10.325 -14.384 -99.200 -91.000 TRP 203 1.040 -8.111 -21.128 -9.610 -99.200 -91.000 TRP6 203 1.020 -6.732 -22.193 -11.209 -99.200 -91.000 PHE 212 1.000 -2.054 -22.454 -21.311 -99.200 -91.000 TYR 214 0.840 3.850 -21.139 -25.490 -99.200 -91.000 PHE 219 1.000 8.102 -12.822 -27.433 -99.200 -91.000 TYR 235 0.840 4.161 0.870 -31.350 -99.200 -91.000 TYR 256 0.840 11.753 1.199 -32.238 -99.200 -91.000 TYR 271 0.840 21.412 -5.394 -40.613 -99.200 -91.000 TYR 291 0.840 -4.155 -9.406 -25.886 -99.200 -91.000 PHE 334 1.000 -1.498 -21.101 -26.299 -99.200 -91.000 TYR 341 0.840 -0.461 -17.725 -34.899 -99.200 -91.000 TYR 353 0.840 -6.480 -29.410 -14.383 -99.200 -91.000 HIS 369 0.900 -3.256 -18.882 7.896 -99.200 -91.000 TYR 377 0.840 -5.650 -16.993 -2.031 -99.200 -91.000 TYR 378 0.840 2.739 -14.902 0.511 -99.200 -91.000 TRP 392 1.040 28.585 -9.573 -7.792 -99.200 -91.000 TRP6 392 1.020 29.740 -11.336 -8.874 -99.200 -91.000 HIS 397 0.900 29.566 -0.098 -2.652 -99.200 -91.000 TRP 403 1.040 20.417 -4.565 -1.473 -99.200 -91.000 TRP6 403 1.020 19.256 -3.145 0.029 -99.200 -91.000 TYR 410 0.840 9.180 -11.333 -5.326 -99.200 -91.000 TRP 415 1.040 11.402 -15.273 -0.383 -99.200 -91.000 TRP6 415 1.020 12.297 -13.592 -1.775 -99.200 -91.000 HIS 423 0.900 23.610 -9.822 4.558 -99.200 -91.000 PHE 424 1.000 21.535 -6.713 1.110 -99.200 -91.000 PHE 425 1.000 16.350 -1.555 6.597 -99.200 -91.000 TYR 443 0.840 5.916 -4.395 -12.951 -99.200 -91.000 TYR 447 0.840 10.605 3.494 -10.122 -99.200 -91.000 HIS 462 0.900 3.891 -5.570 -1.245 -99.200 -91.000 PHE 467 1.000 5.054 -2.907 7.135 -99.200 -91.000 HIS 470 0.90