============================================================================= 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. TYR 24 0.840 6.188 53.558 10.896 -99.200 -91.000 TYR 27 0.840 7.177 44.725 9.877 -99.200 -91.000 TYR 28 0.840 10.295 52.300 12.735 -99.200 -91.000 TYR 29 0.840 9.875 48.026 4.871 -99.200 -91.000 PHE 40 1.000 15.595 52.083 -2.339 -99.200 -91.000 TYR 42 0.840 16.609 45.293 -1.691 -99.200 -91.000 TYR 46 0.840 21.739 32.874 7.334 -99.200 -91.000 TRP 55 1.040 17.192 44.348 7.882 -99.200 -91.000 TRP6 55 1.020 18.732 42.551 7.733 -99.200 -91.000 PHE 62 1.000 17.517 48.636 11.763 -99.200 -91.000 PHE 63 1.000 21.328 49.157 19.182 -99.200 -91.000 TYR 66 0.840 19.562 37.585 9.925 -99.200 -91.000 HIS 74 0.900 20.539 51.721 4.710 -99.200 -91.000 TYR 75 0.840 27.535 55.042 9.026 -99.200 -91.000 TYR 76 0.840 31.198 50.876 7.055 -99.200 -91.000 TYR 81 0.840 24.710 59.975 -2.719 -99.200 -91.000 TYR 83 0.840 35.868 59.441 -2.353 -99.200 -91.000 TYR 84 0.840 33.001 57.317 -6.024 -99.200 -91.000 HIS 88 0.900 36.676 62.043 -6.836 -99.200 -91.000 TYR 93 0.840 24.836 52.722 -9.551 -99.200 -91.000 HIS 105 0.900 22.700 38.041 7.550 -99.200 -91.000 TYR 106 0.840 25.190 35.486 -2.889 -99.200 -91.000 TYR 110 0.840 30.034 34.339 -1.780 -99.200 -91.000 PHE 114 1.000 28.277 38.472 -5.909 -99.200 -91.000 TRP 115 1.040 28.211 46.380 -9.973 -99.200 -91.000 TRP6 115 1.020 26.510 47.728 -8.996 -99.200 -91.000 TYR 122 0.840 28.402 44.225 0.797 -99.200 -91.000 PHE 130 1.000 37.154 37.352 3.520 -99.200 -91.000 HIS 142 0.900 37.368 46.025 -4.682 -99.200 -91.000 HIS 146 0.900 34.829 46.036 -9.278 -99.200 -91.000 TYR 151 0.840 25.823 52.994 -14.859 -99.200 -91.000 TYR 157 0.840 36.707 41.702 -12.790 -99.200 -91.000 PHE 172 1.000 38.779 56.750 -7.355 -99.200 -91.000 PHE 178 1.000 44.406 56.898 4.170 -99.200 -91.000 TYR 179 0.840 34.361 61.729 2.611 -99.200 -91.000 TRP 186 1.040 48.077 54.172 1.765 -99.200 -91.000 TRP6 186 1.020 47.348 55.056 -0.308 -99.200 -91.000 TYR 193 0.840 42.313 37.493 4.926 -99.200 -91.000 TYR 211 0.840 48.885 40.512 2.673 -99.200 -91.000 HIS 216 0.900 59.396 46.405 -12.738 -99.200 -91.000 TYR 217 0.840 53.897 45.308 -18.114 -99.200 -91.000 TYR 221 0.840 48.422 34.496 -13.508 -99.200 -91.000 HIS 231 0.900 40.007 39.690 -8.122 -99.200 -91.000 TYR 242 0.840 52.375 53.489 -0.509 -99.200 -91.000 HIS 250 0.900 58.345 49.205 -5.977 -99.200 -91.000 TYR 251 0.840 61.266 46.120 -7.866 -99.200 -91.000 PHE 267 1.000 45.489 56.402 -10.687 -99.200 -91.000 TYR 268 0.840 35.472 61.086 -10.699 -99.200 -91.000 TYR 274 0.840 42.110 62.269 -20.779 -99.200 -91.000 PHE 281 1.000 48.630 46.760 -15.746 -99.200 -91.000 TYR 296 0.840 46.971 68.861 -9.934 -99.200 -91.000 PHE 310 1.000 51.007 54.812 -14.056 -99.200 -91.000