============================================================================= 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 12.427 15.232 44.655 -99.200 -91.000 TYR 4 0.840 20.647 11.499 33.244 -99.200 -91.000 TRP 6 1.040 25.913 13.951 35.182 -99.200 -91.000 TRP6 6 1.020 25.534 12.192 33.656 -99.200 -91.000 HIS 33 0.900 26.872 24.830 -0.756 -99.200 -91.000 HIS 34 0.900 31.779 17.916 -0.408 -99.200 -91.000 TYR 38 0.840 26.693 18.731 12.952 -99.200 -91.000 PHE 54 1.000 15.753 18.638 33.311 -99.200 -91.000 HIS 63 0.900 -8.748 19.019 35.663 -99.200 -91.000 TYR 64 0.840 -0.711 12.385 37.025 -99.200 -91.000 HIS 95 0.900 24.774 -6.065 11.717 -99.200 -91.000 PHE 101 1.000 27.279 -10.536 32.391 -99.200 -91.000 TYR 103 0.840 24.945 -13.790 25.809 -99.200 -91.000 HIS 118 0.900 23.815 -13.599 31.011 -99.200 -91.000 HIS 120 0.900 16.365 -20.689 29.976 -99.200 -91.000 TRP 123 1.040 12.208 -15.407 33.433 -99.200 -91.000 TRP6 123 1.020 11.047 -13.566 32.513 -99.200 -91.000 PHE 145 1.000 21.624 15.734 14.184 -99.200 -91.000 PHE 157 1.000 23.707 0.074 25.305 -99.200 -91.000 TYR 171 0.840 7.289 -7.690 20.476 -99.200 -91.000 TYR 186 0.840 0.537 3.477 20.141 -99.200 -91.000 PHE 188 1.000 5.317 5.625 17.906 -99.200 -91.000 TYR 190 0.840 -3.547 6.386 13.290 -99.200 -91.000 PHE 198 1.000 -6.540 10.598 14.477 -99.200 -91.000 TRP 203 1.040 -7.961 21.665 9.924 -99.200 -91.000 TRP6 203 1.020 -6.595 22.675 11.559 -99.200 -91.000 PHE 212 1.000 -1.815 22.644 21.597 -99.200 -91.000 TYR 214 0.840 3.994 21.121 25.852 -99.200 -91.000 PHE 219 1.000 7.974 12.899 27.618 -99.200 -91.000 TYR 235 0.840 4.224 -0.760 31.499 -99.200 -91.000 TYR 256 0.840 11.660 -1.062 32.248 -99.200 -91.000 TYR 271 0.840 21.558 5.370 40.648 -99.200 -91.000 TYR 291 0.840 -4.124 9.493 26.128 -99.200 -91.000 PHE 334 1.000 -1.434 21.177 26.616 -99.200 -91.000 TYR 341 0.840 -0.418 17.722 35.166 -99.200 -91.000 TYR 353 0.840 -6.216 29.738 14.883 -99.200 -91.000 HIS 369 0.900 -3.613 19.597 -7.467 -99.200 -91.000 TYR 377 0.840 -5.567 17.389 2.070 -99.200 -91.000 TYR 378 0.840 2.750 15.448 -0.034 -99.200 -91.000 TRP 392 1.040 28.398 9.447 7.747 -99.200 -91.000 TRP6 392 1.020 29.630 11.151 8.821 -99.200 -91.000 HIS 397 0.900 28.625 0.010 2.360 -99.200 -91.000 TRP 403 1.040 20.030 4.602 1.397 -99.200 -91.000 TRP6 403 1.020 18.810 3.264 -0.114 -99.200 -91.000 TYR 410 0.840 9.022 11.648 5.735 -99.200 -91.000 TRP 415 1.040 11.460 15.736 0.780 -99.200 -91.000 TRP6 415 1.020 12.223 13.933 2.093 -99.200 -91.000 HIS 423 0.900 23.264 9.853 -4.456 -99.200 -91.000 PHE 424 1.000 21.246 6.816 -1.063 -99.200 -91.000 PHE 425 1.000 15.768 1.788 -6.564 -99.200 -91.000 TYR 443 0.840 5.637 4.756 13.006 -99.200 -91.000 TYR 447 0.840 10.093 -3.200 10.214 -99.200 -91.000 HIS 462 0.900 3.620 6.400 1.434 -99.200 -91.000 PHE 467 1.000 4.558 3.945 -7.041 -99.200 -91.000 HIS 470 0.90