============================================================================= 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 -40.403 27.006 -11.045 -99.200 -91.000 TYR 27 0.840 -39.297 35.876 -9.911 -99.200 -91.000 TYR 28 0.840 -36.276 28.199 -12.752 -99.200 -91.000 TYR 29 0.840 -36.765 32.357 -5.014 -99.200 -91.000 PHE 40 1.000 -30.878 28.295 2.321 -99.200 -91.000 TYR 42 0.840 -29.997 35.139 1.662 -99.200 -91.000 TYR 46 0.840 -24.799 47.686 -7.158 -99.200 -91.000 TRP 55 1.040 -29.426 36.124 -7.905 -99.200 -91.000 TRP6 55 1.020 -27.907 37.911 -7.686 -99.200 -91.000 PHE 62 1.000 -29.132 31.943 -11.772 -99.200 -91.000 PHE 63 1.000 -25.211 31.503 -19.234 -99.200 -91.000 TYR 66 0.840 -26.974 42.907 -9.871 -99.200 -91.000 HIS 74 0.900 -26.059 28.753 -4.785 -99.200 -91.000 TYR 75 0.840 -19.073 25.386 -9.073 -99.200 -91.000 TYR 76 0.840 -15.396 29.420 -6.978 -99.200 -91.000 TYR 81 0.840 -21.925 20.291 2.696 -99.200 -91.000 TYR 83 0.840 -10.666 20.791 2.164 -99.200 -91.000 TYR 84 0.840 -13.550 22.864 5.893 -99.200 -91.000 HIS 88 0.900 -10.028 18.133 6.523 -99.200 -91.000 TYR 93 0.840 -21.655 27.628 9.439 -99.200 -91.000 HIS 105 0.900 -23.761 42.455 -7.385 -99.200 -91.000 TYR 106 0.840 -21.331 44.850 2.969 -99.200 -91.000 TYR 110 0.840 -16.400 46.174 1.980 -99.200 -91.000 PHE 114 1.000 -17.795 41.656 5.934 -99.200 -91.000 TRP 115 1.040 -18.248 33.627 9.630 -99.200 -91.000 TRP6 115 1.020 -20.031 32.407 8.681 -99.200 -91.000 TYR 122 0.840 -18.266 36.143 -0.991 -99.200 -91.000 PHE 130 1.000 -9.336 42.721 -3.467 -99.200 -91.000 HIS 142 0.900 -8.791 34.008 4.766 -99.200 -91.000 HIS 146 0.900 -11.437 34.097 9.233 -99.200 -91.000 TYR 151 0.840 -20.776 27.129 14.767 -99.200 -91.000 TYR 157 0.840 -9.563 38.640 12.934 -99.200 -91.000 PHE 172 1.000 -7.724 23.438 7.220 -99.200 -91.000 PHE 178 1.000 -2.188 23.272 -4.217 -99.200 -91.000 TYR 179 0.840 -12.183 18.621 -2.879 -99.200 -91.000 TRP 186 1.040 1.410 26.015 -1.845 -99.200 -91.000 TRP6 186 1.020 0.748 25.084 0.206 -99.200 -91.000 TYR 193 0.840 -4.114 42.787 -4.962 -99.200 -91.000 TYR 211 0.840 2.581 39.604 -2.797 -99.200 -91.000 HIS 216 0.900 13.150 33.629 12.369 -99.200 -91.000 TYR 217 0.840 7.404 34.906 17.914 -99.200 -91.000 TYR 221 0.840 2.272 45.604 13.575 -99.200 -91.000 HIS 231 0.900 -6.391 40.611 7.987 -99.200 -91.000 TYR 242 0.840 5.918 26.528 0.420 -99.200 -91.000 HIS 250 0.900 12.055 30.838 6.136 -99.200 -91.000 TYR 251 0.840 15.035 33.865 7.877 -99.200 -91.000 PHE 267 1.000 -1.034 23.511 10.586 -99.200 -91.000 TYR 268 0.840 -11.196 19.059 10.687 -99.200 -91.000 TYR 274 0.840 -4.611 17.792 20.662 -99.200 -91.000 PHE 281 1.000 2.301 33.348 15.709 -99.200 -91.000 TYR 296 0.840 0.437 11.178 9.922 -99.200 -91.000 PHE 310 1.000 4.636 25.164 13.923 -99.200 -91.000