============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. TYR 3 0.840 -34.726 -12.707 40.176 -99.200 -91.000 TYR 5 0.840 -29.825 -15.200 38.764 -99.200 -91.000 PHE 8 1.000 -23.746 -15.345 35.387 -99.200 -91.000 TRP 13 1.040 -7.794 -13.543 30.021 -99.200 -91.000 TRP6 13 1.020 -8.905 -14.092 28.005 -99.200 -91.000 HIS 14 0.900 -11.480 -14.296 36.527 -99.200 -91.000 PHE 15 1.000 -11.097 -18.940 36.198 -99.200 -91.000 TYR 18 0.840 -3.285 -12.946 35.585 -99.200 -91.000 TYR 22 0.840 7.580 -2.394 37.217 -99.200 -91.000 TYR 27 0.840 2.092 -10.059 39.880 -99.200 -91.000 TYR 48 0.840 -21.278 -20.640 26.788 -99.200 -91.000 TYR 53 0.840 -4.501 -23.149 18.581 -99.200 -91.000 PHE 55 1.000 -5.757 -25.460 22.885 -99.200 -91.000 TYR 83 0.840 -1.785 -11.924 23.039 -99.200 -91.000 TRP 87 1.040 3.332 -12.613 15.100 -99.200 -91.000 TRP6 87 1.020 2.680 -14.713 15.936 -99.200 -91.000 PHE 92 1.000 -4.688 -8.722 12.046 -99.200 -91.000 PHE 104 1.000 -4.142 -15.874 6.417 -99.200 -91.000 HIS 107 0.900 -6.913 -20.061 7.154 -99.200 -91.000 TYR 120 0.840 -16.398 -14.366 20.397 -99.200 -91.000 TRP 124 1.040 -6.206 -6.916 22.670 -99.200 -91.000 TRP6 124 1.020 -4.220 -7.435 23.802 -99.200 -91.000 TRP 130 1.040 0.669 5.476 17.353 -99.200 -91.000 TRP6 130 1.020 0.969 6.958 19.176 -99.200 -91.000 TYR 132 0.840 9.450 6.308 21.270 -99.200 -91.000 PHE 134 1.000 6.929 13.598 13.156 -99.200 -91.000 HIS 138 0.900 -0.062 8.263 12.760 -99.200 -91.000 TRP 142 1.040 -7.396 2.611 9.588 -99.200 -91.000 TRP6 142 1.020 -8.071 1.257 11.403 -99.200 -91.000 PHE 160 1.000 -12.092 -14.549 11.509 -99.200 -91.000 TYR 164 0.840 -13.904 -0.759 21.677 -99.200 -91.000 TRP 174 1.040 -8.145 -3.195 14.531 -99.200 -91.000 TRP6 174 1.020 -9.921 -2.817 13.033 -99.200 -91.000 PHE 198 1.000 -18.219 -0.991 32.267 -99.200 -91.000 HIS 200 0.900 -10.077 -3.672 26.668 -99.200 -91.000 TYR 203 0.840 -7.894 1.746 29.170 -99.200 -91.000 PHE 222 1.000 -19.696 -10.486 14.932 -99.200 -91.000 TRP 232 1.040 -3.083 0.182 32.907 -99.200 -91.000 TRP6 232 1.020 -1.831 1.013 31.079 -99.200 -91.000 HIS 242 0.900 -15.816 3.460 37.502 -99.200 -91.000 PHE 246 1.000 -29.156 -1.118 36.952 -99.200 -91.000 PHE 248 1.000 -21.499 -3.246 28.481 -99.200 -91.000 PHE 249 1.000 -23.996 -6.596 32.317 -99.200 -91.000 TYR 250 0.840 -31.771 1.094 30.165 -99.200 -91.000 TRP 257 1.040 -25.854 -8.345 21.961 -99.200 -91.000 TRP6 257 1.020 -24.525 -9.434 23.552 -99.200 -91.000 TRP 261 1.040 -25.167 -11.035 30.893 -99.200 -91.000 TRP6 261 1.020 -26.143 -10.015 32.771 -99.200 -91.000 PHE 266 1.000 -5.339 -10.245 32.564 -99.200 -91.000 PHE 268 1.000 -1.891 -8.592 37.252 -99.200 -91.000 HIS 272 0.900 -5.707 -15.744 39.813 -99.200 -91.000 PHE 282 1.000 -22.052 -5.379 40.579 -99.200 -91.000 HIS 285 0.900 -27.762 -5.867 43.323 -99.200 -91.000 TYR 287 0.840 -31.593 -11.757 34.732 -99.200 -91.000