============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. HIS 2 0.900 142.772 22.804 7.669 -99.200 -91.000 PHE 4 1.000 148.732 18.160 11.456 -99.200 -91.000 PHE 58 1.000 174.608 6.908 -29.262 -99.200 -91.000 PHE 63 1.000 173.955 13.580 -22.941 -99.200 -91.000 PHE 79 1.000 173.054 3.583 -15.067 -99.200 -91.000 HIS 80 0.900 175.084 7.646 -9.490 -99.200 -91.000 TYR 84 0.840 177.654 12.079 -10.095 -99.200 -91.000 PHE 93 1.000 178.829 13.662 -21.407 -99.200 -91.000 TYR 137 0.840 170.801 11.060 -7.848 -99.200 -91.000 PHE 144 1.000 163.575 15.539 -15.727 -99.200 -91.000 TRP 147 1.040 159.482 3.797 -8.827 -99.200 -91.000 TRP6 147 1.020 160.918 3.778 -6.940 -99.200 -91.000 TYR 173 0.840 159.356 8.548 -8.291 -99.200 -91.000 HIS 196 0.900 147.907 -7.331 -24.446 -99.200 -91.000 HIS 200 0.900 142.790 -7.792 -21.712 -99.200 -91.000 TYR 203 0.840 138.197 -3.353 -17.987 -99.200 -91.000 TYR 213 0.840 147.156 10.615 -12.077 -99.200 -91.000 HIS 219 0.900 151.192 7.200 -0.498 -99.200 -91.000 HIS 220 0.900 148.467 13.583 2.630 -99.200 -91.000 TYR 222 0.840 151.769 21.566 -6.339 -99.200 -91.000 HIS 237 0.900 155.425 -5.426 -28.799 -99.200 -91.000 TYR 243 0.840 143.534 -2.832 -33.178 -99.200 -91.000 HIS 257 0.900 138.015 11.548 -22.311 -99.200 -91.000 PHE 269 1.000 150.972 9.630 -24.829 -99.200 -91.000 TRP 295 1.040 145.854 16.068 -18.997 -99.200 -91.000 TRP6 295 1.020 145.091 14.847 -20.876 -99.200 -91.000 PHE 299 1.000 159.392 14.324 -27.934 -99.200 -91.000 TYR 301 0.840 158.447 9.013 -28.287 -99.200 -91.000 TRP 313 1.040 179.216 6.523 -32.304 -99.200 -91.000 TRP6 313 1.020 179.396 5.019 -30.490 -99.200 -91.000 PHE 327 1.000 169.164 13.880 -29.942 -99.200 -91.000 TYR 342 0.840 155.633 13.236 -38.979 -99.200 -91.000 HIS 344 0.900 154.939 9.467 -42.791 -99.200 -91.000 PHE 357 1.000 157.750 20.123 -62.475 -99.200 -91.000 TYR 361 0.840 161.161 12.211 -64.765 -99.200 -91.000 TYR 363 0.840 167.652 11.507 -56.492 -99.200 -91.000