============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 9 1.040 9.896 15.820 5.614 -99.200 -91.000 TRP6 9 1.020 9.107 15.268 3.480 -99.200 -91.000 TYR 10 0.840 5.588 12.144 11.584 -99.200 -91.000 PHE 17 1.000 14.823 14.787 7.768 -99.200 -91.000 TYR 31 0.840 16.159 10.602 11.943 -99.200 -91.000 TYR 42 0.840 20.125 11.067 19.491 -99.200 -91.000 TYR 48 0.840 18.090 22.633 -0.440 -99.200 -91.000 TRP 63 1.040 19.331 13.476 7.563 -99.200 -91.000 TRP6 63 1.020 17.829 12.899 5.850 -99.200 -91.000 TRP 67 1.040 22.890 7.656 15.339 -99.200 -91.000 TRP6 67 1.020 20.660 8.347 15.397 -99.200 -91.000 TYR 71 0.840 17.694 12.991 27.430 -99.200 -91.000 HIS 75 0.900 30.780 5.855 22.155 -99.200 -91.000 TRP 80 1.040 18.661 8.587 6.897 -99.200 -91.000 TRP6 80 1.020 19.515 9.265 8.977 -99.200 -91.000 TYR 84 0.840 10.830 17.584 -1.862 -99.200 -91.000 TRP 96 1.040 19.253 3.607 6.620 -99.200 -91.000 TRP6 96 1.020 20.365 2.010 7.937 -99.200 -91.000 TRP 108 1.040 35.313 -8.126 10.373 -99.200 -91.000 TRP6 108 1.020 33.388 -9.371 9.932 -99.200 -91.000 HIS 115 0.900 15.235 -0.242 1.825 -99.200 -91.000 PHE 118 1.000 13.159 9.760 6.516 -99.200 -91.000