============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 23 0.840 8.855 -7.397 37.431 -99.200 -91.000 TYR 33 0.840 -2.300 -10.207 32.413 -99.200 -91.000 TYR 39 0.840 -3.890 -5.913 22.143 -99.200 -91.000 PHE 40 1.000 -5.669 -12.153 26.101 -99.200 -91.000 TYR 41 0.840 -14.212 -12.570 24.431 -99.200 -91.000 TYR 43 0.840 -15.430 -13.830 29.188 -99.200 -91.000 TYR 54 0.840 -1.298 -3.707 33.934 -99.200 -91.000 TYR 71 0.840 18.937 10.355 26.143 -99.200 -91.000 TYR 73 0.840 22.646 3.500 28.182 -99.200 -91.000 TYR 74 0.840 14.611 -0.733 26.263 -99.200 -91.000 PHE 75 1.000 22.219 -5.132 25.944 -99.200 -91.000 PHE 81 1.000 12.869 -1.399 17.968 -99.200 -91.000 PHE 83 1.000 17.358 -6.646 10.225 -99.200 -91.000 PHE 100 1.000 24.718 1.129 11.379 -99.200 -91.000 PHE 103 1.000 17.858 -2.321 13.536 -99.200 -91.000 PHE 112 1.000 9.478 0.352 14.328 -99.200 -91.000 PHE 117 1.000 4.166 -3.968 34.699 -99.200 -91.000 TYR 123 0.840 24.718 4.222 36.547 -99.200 -91.000 HIS 138 0.900 21.443 6.828 25.440 -99.200 -91.000 TYR 150 0.840 12.891 -4.399 40.674 -99.200 -91.000 TYR 162 0.840 6.981 4.694 26.122 -99.200 -91.000 HIS 178 0.900 31.527 -4.029 14.966 -99.200 -91.000 TYR 179 0.840 26.967 -5.835 22.108 -99.200 -91.000 PHE 192 1.000 -8.743 7.341 25.754 -99.200 -91.000 TRP 202 1.040 -10.018 12.469 23.924 -99.200 -91.000 TRP6 202 1.020 -10.443 11.657 21.740 -99.200 -91.000 TYR 207 0.840 -14.693 14.167 17.490 -99.200 -91.000 TRP 210 1.040 -18.547 15.669 13.853 -99.200 -91.000 TRP6 210 1.020 -19.655 13.771 12.967 -99.200 -91.000 TYR 225 0.840 -21.202 5.265 7.206 -99.200 -91.000 TYR 230 0.840 -23.261 -0.123 8.349 -99.200 -91.000 TYR 236 0.840 -20.829 3.789 -5.642 -99.200 -91.000 TYR 273 0.840 -6.236 -0.621 20.480 -99.200 -91.000 PHE 281 1.000 -5.199 -7.164 7.307 -99.200 -91.000 TYR 290 0.840 -8.379 -15.824 9.460 -99.200 -91.000 PHE 292 1.000 -2.906 -15.226 10.817 -99.200 -91.000 PHE 301 1.000 -1.348 -10.859 7.807 -99.200 -91.000 TRP 305 1.040 -0.841 -8.400 4.378 -99.200 -91.000 TRP6 305 1.020 -1.919 -6.776 3.036 -99.200 -91.000 TYR 312 0.840 -9.230 -1.249 5.777 -99.200 -91.000 PHE 315 1.000 -17.058 7.275 4.167 -99.200 -91.000 PHE 328 1.000 -16.212 -6.775 16.131 -99.200 -91.000 TYR 347 0.840 -16.408 8.281 21.063 -99.200 -91.000 TYR 354 0.840 -23.789 4.979 16.021 -99.200 -91.000 TYR 358 0.840 -17.224 1.870 24.835 -99.200 -91.000 HIS 364 0.900 -13.741 8.303 0.289 -99.200 -91.000 PHE 368 1.000 -5.620 2.759 8.094 -99.200 -91.000 TYR 376 0.840 -3.272 -11.437 20.807 -99.200 -91.000