============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 84 rings ring int. center anis. iso. HIS 14 0.900 -45.058 -75.307 26.860 -99.200 -91.000 TRP 33 1.040 -42.091 -71.338 19.109 -99.200 -91.000 TRP6 33 1.020 -41.173 -71.607 16.942 -99.200 -91.000 PHE 34 1.000 -42.702 -63.219 21.559 -99.200 -91.000 HIS 40 0.900 -36.476 -67.187 11.273 -99.200 -91.000 PHE 41 1.000 -45.605 -61.655 11.561 -99.200 -91.000 HIS 51 0.900 -43.724 -54.706 -16.101 -99.200 -91.000 TYR 58 0.840 -42.115 -73.402 -12.375 -99.200 -91.000 PHE 61 1.000 -40.135 -72.723 -28.263 -99.200 -91.000 HIS 65 0.900 -43.324 -74.146 -38.598 -99.200 -91.000 TYR 70 0.840 -33.245 -67.031 -41.423 -99.200 -91.000 PHE 76 1.000 -35.475 -70.371 -30.892 -99.200 -91.000 PHE 86 1.000 -41.896 -68.476 -13.110 -99.200 -91.000 PHE 89 1.000 -48.397 -64.612 -18.760 -99.200 -91.000 PHE 108 1.000 -46.548 -63.154 -23.344 -99.200 -91.000 PHE 112 1.000 -38.373 -69.232 -23.783 -99.200 -91.000 TYR 113 0.840 -36.030 -72.821 -15.922 -99.200 -91.000 TRP 119 1.040 -33.694 -65.905 -24.795 -99.200 -91.000 TRP6 119 1.020 -35.237 -66.667 -26.429 -99.200 -91.000 PHE 129 1.000 -41.999 -48.759 -22.089 -99.200 -91.000 PHE 130 1.000 -46.346 -45.713 -22.318 -99.200 -91.000 PHE 137 1.000 -38.603 -48.034 -16.968 -99.200 -91.000 HIS 142 0.900 -39.410 -41.149 -10.104 -99.200 -91.000 TRP 159 1.040 -53.214 -38.219 -19.646 -99.200 -91.000 TRP6 159 1.020 -53.068 -38.963 -21.891 -99.200 -91.000 PHE 161 1.000 -42.337 -38.952 -18.866 -99.200 -91.000 TRP 162 1.040 -47.553 -41.293 -21.082 -99.200 -91.000 TRP6 162 1.020 -49.631 -42.362 -20.691 -99.200 -91.000 HIS 170 0.900 -46.819 -47.409 -32.630 -99.200 -91.000 TYR 185 0.840 -51.787 -61.628 -15.983 -99.200 -91.000 HIS 187 0.900 -58.878 -65.211 -23.162 -99.200 -91.000 HIS 189 0.900 -51.860 -61.607 -30.019 -99.200 -91.000 PHE 191 1.000 -46.662 -58.081 -29.696 -99.200 -91.000 HIS 194 0.900 -36.008 -53.368 -26.052 -99.200 -91.000 PHE 196 1.000 -34.273 -58.806 -27.512 -99.200 -91.000 PHE 198 1.000 -33.157 -65.623 -33.837 -99.200 -91.000 TYR 206 0.840 -29.552 -63.762 -41.008 -99.200 -91.000 TRP 207 1.040 -29.885 -55.735 -37.330 -99.200 -91.000 TRP6 207 1.020 -28.479 -55.634 -35.421 -99.200 -91.000 PHE 210 1.000 -36.608 -63.081 -30.056 -99.200 -91.000 HIS 211 0.900 -43.935 -59.990 -33.903 -99.200 -91.000 PHE 212 1.000 -42.790 -65.333 -27.264 -99.200 -91.000 HIS 237 0.900 -56.640 -59.784 -15.518 -99.200 -91.000 PHE 250 1.000 -52.409 -78.164 -18.689 -99.200 -91.000 TRP 253 1.040 -49.428 -66.334 -25.540 -99.200 -91.000 TRP6 253 1.020 -49.927 -67.305 -23.439 -99.200 -91.000 TYR 270 0.840 -39.107 -49.810 -41.272 -99.200 -91.000 PHE 273 1.000 -30.699 -51.142 -35.013 -99.200 -91.000 TRP 279 1.040 -38.131 -53.930 -37.470 -99.200 -91.000 TRP6 279 1.020 -36.781 -55.863 -37.450 -99.200 -91.000 HIS 281 0.900 -46.586 -57.883 -38.647 -99.200 -91.000 TYR 284 0.840 -37.613 -56.513 -43.005 -99.200 -91.000 PHE 292 1.000 -45.270 -69.426 -23.996 -99.200 -91.000 TYR 301 0.840 -47.107 -64.792 -6.123 -99.200 -91.000 PHE 302 1.000 -40.683 -64.524 -0.452 -99.200 -91.000 PHE 310 1.000 -39.176 -63.799 -15.549 -99.200 -91.000 PHE 321 1.000 -27.224 -58.461 -24.945 -99.200 -91.000 PHE 332 1.000 -26.726 -50.141 -13.999 -99.200 -91.000 TYR 334 0.840 -35.039 -55.445 -16.646 -99.200 -91.000 TYR 340 0.840 -32.644 -52.389 -2.798 -99.200 -91.000 HIS 346 0.900 -30.355 -62.397 -8.279 -99.200 -91.000 HIS 348 0.900 -25.953 -69.939 -5.911 -99.200 -91.000 HIS 359 0.900 -16.736 -74.335 -12.384 -99.200 -91.000 TYR 361 0.840 -14.153 -65.515 -10.933 -99.200 -91.000 HIS 362 0.900 -20.253 -64.167 -10.713 -99.200 -91.000 PHE 373 1.000 -18.202 -71.809 -7.800 -99.200 -91.000 TYR 379 0.840 -4.823 -67.847 -8.812 -99.200 -91.000 TRP 387 1.040 -12.429 -70.084 -11.469 -99.200 -91.000 TRP6 387 1.020 -14.558 -70.934 -10.888 -99.200 -91.000 PHE 393 1.000 -20.338 -72.074 -26.666 -99.200 -91.000 HIS 406 0.900 -24.352 -37.738 -23.256 -99.200 -91.000 TRP 407 1.040 -24.028 -39.542 -31.604 -99.200 -91.000 TRP6 407 1.020 -23.434 -38.059 -33.353 -99.200 -91.000 HIS 409 0.900 -35.283 -39.121 -28.644 -99.200 -91.000 TYR 415 0.840 -41.170 -36.874 -32.501 -99.200 -91.000 PHE 416 1.000 -46.568 -36.155 -34.199 -99.200 -91.000 PHE 423 1.000 -58.111 -42.684 -35.975 -99.200 -91.000 PHE 435 1.000 -62.159 -40.961 -32.002 -99.200 -91.000 HIS 453 0.900 -53.074 -37.721 -26.383 -99.200 -91.000 HIS 456 0.900 -47.844 -34.179 -29.479 -99.200 -91.000 TYR 458 0.840 -55.787 -31.897 -37.203 -99.200 -91.000 TYR 464 0.840 -55.497 -40.841 -32.110 -99.200 -91.000 PHE 474 1.000 -60.046 -29.234 -25.668 -99.200 -91.000 TYR 479 0.840 -58.683 -30.325 -32.385 -99.200 -91.000