============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. PHE 2 1.000 -12.958 35.523 5.588 -99.200 -91.000 TRP 8 1.040 -22.110 31.356 -10.967 -99.200 -91.000 TRP6 8 1.020 -23.909 32.492 -9.946 -99.200 -91.000 PHE 14 1.000 -6.447 33.581 -16.076 -99.200 -91.000 TYR 27 0.840 -7.046 18.057 -13.036 -99.200 -91.000 PHE 31 1.000 -4.759 13.987 -23.185 -99.200 -91.000 TRP 33 1.040 -4.885 19.265 -28.007 -99.200 -91.000 TRP6 33 1.020 -3.283 17.554 -28.326 -99.200 -91.000 PHE 46 1.000 -14.459 17.241 -37.815 -99.200 -91.000 TYR 54 0.840 -14.439 6.488 -37.015 -99.200 -91.000 HIS 56 0.900 -22.017 7.426 -33.499 -99.200 -91.000 HIS 57 0.900 -28.479 10.658 -34.396 -99.200 -91.000 PHE 64 1.000 -22.878 29.486 -20.341 -99.200 -91.000 TYR 68 0.840 -21.722 17.932 -31.543 -99.200 -91.000 PHE 77 1.000 -16.289 8.670 -26.697 -99.200 -91.000 TRP 88 1.040 -15.875 26.401 -12.680 -99.200 -91.000 TRP6 88 1.020 -14.630 26.798 -10.693 -99.200 -91.000 PHE 90 1.000 -11.218 17.241 -17.087 -99.200 -91.000 TYR 91 0.840 -11.311 22.652 -9.142 -99.200 -91.000 HIS 106 0.900 -25.778 5.304 -8.490 -99.200 -91.000 PHE 108 1.000 -23.941 13.475 -8.505 -99.200 -91.000 PHE 111 1.000 -17.522 16.633 -17.375 -99.200 -91.000 TYR 112 0.840 -15.667 8.343 -19.105 -99.200 -91.000 HIS 115 0.900 -8.646 15.678 -25.956 -99.200 -91.000 PHE 117 1.000 -8.860 21.457 -29.149 -99.200 -91.000 TYR 128 0.840 -25.825 9.584 -17.288 -99.200 -91.000 TYR 130 0.840 -33.103 5.335 -23.530 -99.200 -91.000 TYR 140 0.840 -45.153 11.640 -18.443 -99.200 -91.000 PHE 156 1.000 -38.034 10.829 -12.699 -99.200 -91.000 TYR 162 0.840 -29.026 9.377 -1.591 -99.200 -91.000 HIS 168 0.900 -26.209 21.555 -1.476 -99.200 -91.000 HIS 174 0.900 -25.804 21.430 -11.165 -99.200 -91.000 PHE 182 1.000 -32.199 17.275 -11.818 -99.200 -91.000 PHE 188 1.000 -36.799 5.744 -15.840 -99.200 -91.000 PHE 209 1.000 -15.231 31.077 -3.196 -99.200 -91.000 PHE 215 1.000 -20.656 32.221 -3.084 -99.200 -91.000 PHE 224 1.000 -33.359 31.095 -16.109 -99.200 -91.000 TRP 235 1.040 -26.962 34.018 -3.399 -99.200 -91.000 TRP6 235 1.020 -25.538 32.629 -4.664 -99.200 -91.000 TYR 237 0.840 -23.197 24.513 0.615 -99.200 -91.000 TYR 241 0.840 -31.353 23.029 0.721 -99.200 -91.000 PHE 242 1.000 -35.987 29.454 -6.827 -99.200 -91.000 TYR 249 0.840 -44.721 25.742 -9.977 -99.200 -91.000 PHE 253 1.000 -48.458 23.110 -10.052 -99.200 -91.000 TYR 256 0.840 -38.904 26.590 -17.587 -99.200 -91.000 PHE 272 1.000 -49.295 24.910 -5.358 -99.200 -91.000 HIS 277 0.900 -50.275 12.334 -2.797 -99.200 -91.000 TRP 281 1.040 -46.759 17.559 -4.235 -99.200 -91.000 TRP6 281 1.020 -44.464 17.082 -4.615 -99.200 -91.000 PHE 284 1.000 -40.177 19.798 -2.540 -99.200 -91.000 PHE 285 1.000 -43.306 23.375 -4.446 -99.200 -91.000 HIS 286 0.900 -42.831 26.680 5.736 -99.200 -91.000 HIS 295 0.900 -24.025 30.616 9.542 -99.200 -91.000 HIS 296 0.900 -30.358 29.801 10.525 -99.200 -91.000 PHE 311 1.000 -42.546 5.732 -4.295 -99.200 -91.000 HIS 314 0.900 -51.238 7.777 -0.713 -99.200 -91.000 TYR 315 0.840 -48.367 7.614 -5.780 -99.200 -91.000