============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. HIS 22 0.900 27.127 20.838 38.975 -99.200 -91.000 PHE 24 1.000 21.632 18.656 41.430 -99.200 -91.000 TRP 32 1.040 16.993 17.632 45.614 -99.200 -91.000 TRP6 32 1.020 15.453 19.159 44.662 -99.200 -91.000 PHE 35 1.000 15.994 20.633 33.687 -99.200 -91.000 HIS 47 0.900 25.949 33.140 27.973 -99.200 -91.000 PHE 55 1.000 12.487 25.736 33.920 -99.200 -91.000 TYR 60 0.840 12.747 22.558 37.291 -99.200 -91.000 TYR 69 0.840 34.272 33.613 42.020 -99.200 -91.000 TRP 70 1.040 33.635 33.300 47.563 -99.200 -91.000 TRP6 70 1.020 34.133 35.519 46.879 -99.200 -91.000 PHE 78 1.000 29.315 30.527 57.648 -99.200 -91.000 HIS 79 0.900 27.402 31.395 53.015 -99.200 -91.000 HIS 81 0.900 25.812 23.637 48.650 -99.200 -91.000 PHE 86 1.000 13.424 27.807 40.481 -99.200 -91.000 TYR 96 0.840 10.573 30.504 36.567 -99.200 -91.000 TYR 105 0.840 33.289 34.381 56.716 -99.200 -91.000 TYR 107 0.840 23.950 32.293 49.670 -99.200 -91.000