============================================================================= 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 21 0.900 -5.218 -21.011 -5.677 -99.200 -91.000 PHE 23 1.000 0.332 -23.134 -8.041 -99.200 -91.000 TRP 31 1.040 4.866 -23.937 -12.346 -99.200 -91.000 TRP6 31 1.020 6.377 -22.412 -11.407 -99.200 -91.000 PHE 34 1.000 6.086 -21.413 -0.371 -99.200 -91.000 HIS 46 0.900 -0.589 -8.003 5.149 -99.200 -91.000 PHE 54 1.000 9.403 -16.197 -0.233 -99.200 -91.000 TYR 59 0.840 9.150 -19.343 -3.814 -99.200 -91.000 TYR 68 0.840 -12.106 -8.750 -8.255 -99.200 -91.000 TRP 69 1.040 -11.993 -8.878 -13.528 -99.200 -91.000 TRP6 69 1.020 -12.656 -6.740 -12.896 -99.200 -91.000 PHE 77 1.000 -8.259 -11.347 -23.791 -99.200 -91.000 HIS 78 0.900 -5.825 -10.562 -19.457 -99.200 -91.000 HIS 80 0.900 -3.932 -18.229 -14.747 -99.200 -91.000 PHE 85 1.000 8.426 -13.775 -6.986 -99.200 -91.000 TYR 95 0.840 11.171 -11.406 -2.899 -99.200 -91.000 TYR 104 0.840 -12.166 -7.425 -22.660 -99.200 -91.000 TYR 106 0.840 -2.402 -9.463 -16.042 -99.200 -91.000