============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. TYR 3 0.840 33.515 23.008 15.889 -99.200 -91.000 TRP 21 1.040 20.630 5.885 22.436 -99.200 -91.000 TRP6 21 1.020 20.920 4.422 20.601 -99.200 -91.000 PHE 40 1.000 22.426 -6.513 5.512 -99.200 -91.000 TYR 49 0.840 29.200 -1.730 -0.360 -99.200 -91.000 PHE 50 1.000 26.851 -4.646 5.539 -99.200 -91.000 HIS 68 0.900 27.933 -4.576 11.318 -99.200 -91.000 TYR 74 0.840 27.005 -1.199 23.387 -99.200 -91.000 PHE 79 1.000 28.328 8.495 15.795 -99.200 -91.000 PHE 96 1.000 32.537 4.400 15.546 -99.200 -91.000 HIS 100 0.900 31.192 3.334 8.109 -99.200 -91.000 PHE 110 1.000 27.026 6.456 7.725 -99.200 -91.000 PHE 126 1.000 10.371 7.453 20.134 -99.200 -91.000 TYR 130 0.840 10.566 12.069 18.477 -99.200 -91.000 TRP 134 1.040 17.393 9.291 15.695 -99.200 -91.000 TRP6 134 1.020 19.375 8.246 16.458 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs =============================================================================