============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 61 rings ring int. center anis. iso. TYR 9 0.840 55.356 56.776 10.981 -99.200 -91.000 TRP 11 1.040 46.731 60.132 16.214 -99.200 -91.000 TRP6 11 1.020 45.524 61.341 14.601 -99.200 -91.000 TYR 15 0.840 46.742 56.586 20.937 -99.200 -91.000 TRP 20 1.040 50.670 48.793 13.351 -99.200 -91.000 TRP6 20 1.020 50.065 49.836 11.349 -99.200 -91.000 TYR 31 0.840 45.716 52.758 0.407 -99.200 -91.000 PHE 37 1.000 40.898 59.470 6.116 -99.200 -91.000 HIS 44 0.900 58.862 45.234 5.507 -99.200 -91.000 TYR 60 0.840 36.025 61.136 17.804 -99.200 -91.000 PHE 77 1.000 33.856 51.261 18.245 -99.200 -91.000 TYR 90 0.840 42.604 46.883 17.683 -99.200 -91.000 PHE 93 1.000 43.406 58.934 17.917 -99.200 -91.000 TYR 101 0.840 38.966 46.390 6.492 -99.200 -91.000 PHE 128 1.000 23.424 46.692 19.220 -99.200 -91.000 HIS 129 0.900 16.620 44.629 19.941 -99.200 -91.000 PHE 135 1.000 25.849 53.697 27.435 -99.200 -91.000 HIS 140 0.900 15.577 59.660 28.106 -99.200 -91.000 TRP 141 1.040 17.497 57.809 20.964 -99.200 -91.000 TRP6 141 1.020 16.462 56.976 19.027 -99.200 -91.000 PHE 143 1.000 6.748 59.589 20.649 -99.200 -91.000 TYR 149 0.840 16.456 64.599 15.503 -99.200 -91.000 TYR 170 0.840 3.757 65.811 4.397 -99.200 -91.000 PHE 192 1.000 22.796 49.685 23.550 -99.200 -91.000 HIS 194 0.900 22.812 49.749 14.691 -99.200 -91.000 PHE 216 1.000 28.082 49.756 17.198 -99.200 -91.000 TYR 218 0.840 21.746 58.063 13.861 -99.200 -91.000 TYR 221 0.840 19.299 50.046 27.920 -99.200 -91.000 TYR 223 0.840 9.149 52.936 23.711 -99.200 -91.000 PHE 226 1.000 13.103 53.926 15.777 -99.200 -91.000 HIS 231 0.900 16.438 45.017 8.846 -99.200 -91.000 PHE 232 1.000 10.150 43.778 9.787 -99.200 -91.000 TRP 235 1.040 13.545 44.429 4.647 -99.200 -91.000 TRP6 235 1.020 12.572 42.389 4.036 -99.200 -91.000 TYR 237 0.840 12.806 55.209 1.940 -99.200 -91.000 TYR 239 0.840 19.086 55.218 2.598 -99.200 -91.000 HIS 241 0.900 18.202 56.286 -8.203 -99.200 -91.000 TRP 244 1.040 17.773 65.910 -6.715 -99.200 -91.000 TRP6 244 1.020 18.976 66.896 -4.955 -99.200 -91.000 PHE 246 1.000 22.837 62.457 -6.253 -99.200 -91.000 TYR 247 0.840 14.984 59.441 -1.673 -99.200 -91.000 TYR 254 0.840 7.054 47.693 5.660 -99.200 -91.000 HIS 262 0.900 12.704 33.716 7.461 -99.200 -91.000 PHE 263 1.000 14.096 40.801 11.574 -99.200 -91.000 HIS 266 0.900 14.994 32.111 11.595 -99.200 -91.000 TYR 267 0.840 13.843 40.365 18.281 -99.200 -91.000 TYR 296 0.840 6.537 51.099 19.520 -99.200 -91.000 HIS 301 0.900 7.752 55.105 7.045 -99.200 -91.000 PHE 302 1.000 5.987 62.460 13.181 -99.200 -91.000 PHE 303 1.000 15.073 59.355 15.199 -99.200 -91.000 TRP 304 1.040 15.511 56.999 10.538 -99.200 -91.000 TRP6 304 1.020 17.539 57.801 11.424 -99.200 -91.000 TRP 307 1.040 19.103 62.419 11.025 -99.200 -91.000 TRP6 307 1.020 19.659 61.808 8.792 -99.200 -91.000 PHE 319 1.000 19.915 61.470 0.372 -99.200 -91.000 TYR 321 0.840 20.560 64.827 3.655 -99.200 -91.000 TYR 324 0.840 15.122 59.407 3.439 -99.200 -91.000 PHE 329 1.000 7.891 63.972 7.815 -99.200 -91.000 PHE 331 1.000 5.974 53.050 2.960 -99.200 -91.000 TYR 332 0.840 3.007 58.930 10.628 -99.200 -91.000 PHE 333 1.000 0.393 62.045 7.856 -99.200 -91.000