============================================================================= 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. TRP 12 1.040 31.209 52.311 54.019 -99.200 -91.000 TRP6 12 1.020 30.623 50.067 54.524 -99.200 -91.000 TRP 16 1.040 38.565 45.221 52.438 -99.200 -91.000 TRP6 16 1.020 38.577 46.646 54.323 -99.200 -91.000 TYR 26 0.840 21.917 26.974 57.490 -99.200 -91.000 PHE 32 1.000 32.029 26.447 57.545 -99.200 -91.000 TYR 34 0.840 34.715 31.744 55.926 -99.200 -91.000 HIS 39 0.900 40.778 43.849 44.296 -99.200 -91.000 HIS 42 0.900 36.995 53.503 41.763 -99.200 -91.000 PHE 49 1.000 30.637 41.074 44.856 -99.200 -91.000 PHE 51 1.000 32.638 39.631 48.501 -99.200 -91.000 PHE 54 1.000 41.890 31.184 48.907 -99.200 -91.000 HIS 55 0.900 40.884 23.063 55.404 -99.200 -91.000 HIS 62 0.900 30.831 31.209 48.394 -99.200 -91.000 PHE 67 1.000 30.281 43.570 37.819 -99.200 -91.000 PHE 79 1.000 26.296 41.255 46.875 -99.200 -91.000 HIS 105 0.900 15.459 41.403 43.707 -99.200 -91.000 PHE 112 1.000 25.761 20.652 36.351 -99.200 -91.000 HIS 117 0.900 18.759 23.004 44.883 -99.200 -91.000 PHE 125 1.000 29.084 42.883 52.402 -99.200 -91.000 HIS 147 0.900 26.755 29.047 55.542 -99.200 -91.000 HIS 149 0.900 30.734 38.221 62.456 -99.200 -91.000 TYR 152 0.840 36.142 40.072 55.086 -99.200 -91.000