============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 13 1.000 -37.933 71.369 45.689 -99.200 -91.000 TYR 61 0.840 -40.504 74.709 52.135 -99.200 -91.000 PHE 70 1.000 -31.191 64.684 47.962 -99.200 -91.000 PHE 115 1.000 -19.743 54.585 50.659 -99.200 -91.000 PHE 158 1.000 -15.347 52.168 63.127 -99.200 -91.000 TYR 308 0.840 -5.334 35.767 40.345 -99.200 -91.000 TYR 312 0.840 3.574 38.629 42.343 -99.200 -91.000 PHE 313 1.000 9.638 40.442 42.967 -99.200 -91.000 PHE 332 1.000 -0.804 37.274 37.320 -99.200 -91.000 PHE 333 1.000 6.101 30.711 35.885 -99.200 -91.000 TRP 352 1.040 -4.641 38.172 32.095 -99.200 -91.000 TRP6 352 1.020 -4.126 40.202 33.209 -99.200 -91.000 HIS 357 0.900 13.007 40.604 36.037 -99.200 -91.000 TRP 382 1.040 20.549 30.005 30.848 -99.200 -91.000 TRP6 382 1.020 18.980 31.082 29.413 -99.200 -91.000 TYR 389 0.840 41.176 30.545 28.566 -99.200 -91.000 TYR 418 0.840 24.115 32.514 16.368 -99.200 -91.000 TRP 425 1.040 32.884 34.502 23.671 -99.200 -91.000 TRP6 425 1.020 31.205 32.869 24.109 -99.200 -91.000 TYR 430 0.840 40.515 31.659 33.789 -99.200 -91.000 TYR 436 0.840 24.263 33.275 24.724 -99.200 -91.000 PHE 438 1.000 17.279 35.294 25.575 -99.200 -91.000 PHE 451 1.000 12.742 33.748 25.453 -99.200 -91.000