============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 7 1.000 93.278 61.930 20.543 -99.200 -91.000 PHE 11 1.000 98.268 51.574 13.009 -99.200 -91.000 TYR 25 0.840 88.267 58.428 31.325 -99.200 -91.000 HIS 29 0.900 90.901 47.862 14.452 -99.200 -91.000 TYR 41 0.840 88.399 22.263 5.200 -99.200 -91.000 TYR 42 0.840 99.669 21.312 8.668 -99.200 -91.000 TRP 43 1.040 91.254 19.422 11.518 -99.200 -91.000 TRP6 43 1.020 89.140 19.343 10.477 -99.200 -91.000 TRP 52 1.040 91.071 24.024 13.297 -99.200 -91.000 TRP6 52 1.020 90.449 25.313 11.428 -99.200 -91.000 TYR 114 0.840 89.536 41.892 31.773 -99.200 -91.000 TYR 167 0.840 104.776 37.210 24.040 -99.200 -91.000 TYR 171 0.840 111.196 30.048 12.835 -99.200 -91.000 HIS 184 0.900 94.664 29.669 -4.600 -99.200 -91.000 PHE 187 1.000 101.545 25.757 1.087 -99.200 -91.000 TYR 190 0.840 99.002 18.098 -2.419 -99.200 -91.000 TYR 195 0.840 92.095 18.938 1.375 -99.200 -91.000 TYR 199 0.840 90.014 25.987 -5.777 -99.200 -91.000 TYR 209 0.840 95.190 25.568 -3.435 -99.200 -91.000 TYR 236 0.840 105.431 42.588 17.249 -99.200 -91.000 HIS 252 0.900 108.842 61.827 19.645 -99.200 -91.000 HIS 255 0.900 99.528 45.224 13.503 -99.200 -91.000 HIS 265 0.900 98.556 54.842 3.571 -99.200 -91.000 PHE 266 1.000 98.990 56.038 10.345 -99.200 -91.000 PHE 278 1.000 114.890 42.677 13.109 -99.200 -91.000 PHE 284 1.000 107.408 37.371 5.397 -99.200 -91.000 TRP 295 1.040 113.409 40.522 -4.538 -99.200 -91.000 TRP6 295 1.020 113.019 39.133 -2.677 -99.200 -91.000 TYR 298 0.840 111.221 44.777 1.335 -99.200 -91.000 PHE 301 1.000 103.383 38.510 1.152 -99.200 -91.000 HIS 304 0.900 110.364 46.238 10.497 -99.200 -91.000 TYR 308 0.840 107.905 55.396 12.984 -99.200 -91.000 HIS 313 0.900 113.712 58.172 25.964 -99.200 -91.000 PHE 324 1.000 107.829 40.989 27.548 -99.200 -91.000 PHE 333 1.000 118.005 57.672 8.564 -99.200 -91.000 PHE 351 1.000 113.378 46.881 -3.571 -99.200 -91.000 TYR 353 0.840 108.031 51.186 -1.795 -99.200 -91.000