============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. TYR 12 0.840 -27.068 52.438 4.217 -99.200 -91.000 TYR 14 0.840 -34.605 62.395 3.972 -99.200 -91.000 TYR 23 0.840 -21.760 69.686 -0.867 -99.200 -91.000 PHE 31 1.000 -18.006 76.420 -14.806 -99.200 -91.000 PHE 33 1.000 -29.857 75.024 -17.983 -99.200 -91.000 PHE 42 1.000 -40.861 83.863 -17.755 -99.200 -91.000 TYR 53 0.840 -52.431 63.779 -13.972 -99.200 -91.000 TYR 54 0.840 -45.660 67.762 -21.622 -99.200 -91.000 TYR 68 0.840 -25.500 64.200 -25.760 -99.200 -91.000 PHE 73 1.000 -26.961 51.004 -32.319 -99.200 -91.000 TYR 90 0.840 -36.513 53.139 -5.515 -99.200 -91.000 PHE 96 1.000 -33.049 42.913 -14.695 -99.200 -91.000 PHE 101 1.000 -24.548 46.795 -4.721 -99.200 -91.000 PHE 102 1.000 -19.091 43.582 -9.688 -99.200 -91.000 TYR 106 0.840 -24.782 56.646 -7.233 -99.200 -91.000 TYR 109 0.840 -24.780 51.311 -8.296 -99.200 -91.000 PHE 112 1.000 -31.428 54.728 -4.605 -99.200 -91.000 PHE 120 1.000 -26.971 43.914 -0.539 -99.200 -91.000 PHE 143 1.000 -27.907 48.339 -10.638 -99.200 -91.000 HIS 153 0.900 -11.742 51.677 -12.034 -99.200 -91.000 PHE 155 1.000 -14.989 48.826 -13.696 -99.200 -91.000 PHE 169 1.000 -30.503 44.355 -18.783 -99.200 -91.000 TYR 176 0.840 -19.644 60.667 -12.363 -99.200 -91.000 TYR 177 0.840 -20.469 59.967 -23.477 -99.200 -91.000 PHE 179 1.000 -18.134 65.638 -16.468 -99.200 -91.000 HIS 180 0.900 -13.840 57.271 -20.791 -99.200 -91.000 TYR 184 0.840 -18.106 49.643 -22.772 -99.200 -91.000 PHE 187 1.000 -18.885 47.028 -26.687 -99.200 -91.000 TYR 191 0.840 -22.356 41.318 -25.618 -99.200 -91.000 PHE 200 1.000 -30.466 65.625 -20.427 -99.200 -91.000 PHE 204 1.000 -25.972 68.145 -21.242 -99.200 -91.000 TYR 213 0.840 -29.684 60.221 -21.820 -99.200 -91.000 PHE 220 1.000 -34.100 47.745 -19.221 -99.200 -91.000 TYR 224 0.840 -37.254 52.600 -16.976 -99.200 -91.000 PHE 231 1.000 -49.066 60.471 -16.674 -99.200 -91.000 TYR 235 0.840 -44.592 71.962 -20.217 -99.200 -91.000 PHE 240 1.000 -35.064 74.640 -16.584 -99.200 -91.000 HIS 247 0.900 -29.651 77.016 -27.314 -99.200 -91.000 PHE 251 1.000 -25.409 73.190 -21.249 -99.200 -91.000 PHE 257 1.000 -12.597 75.651 -15.630 -99.200 -91.000 TYR 274 0.840 -1.400 64.219 -1.074 -99.200 -91.000 PHE 283 1.000 -15.149 61.188 -9.867 -99.200 -91.000 PHE 285 1.000 -10.814 57.468 -3.820 -99.200 -91.000 PHE 287 1.000 -6.494 54.698 -3.977 -99.200 -91.000 HIS 299 0.900 -6.209 69.647 10.031 -99.200 -91.000 PHE 310 1.000 -16.635 57.382 -1.745 -99.200 -91.000 PHE 334 1.000 -3.513 66.053 5.892 -99.200 -91.000