============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. TYR 12 0.840 -1.744 -8.583 -25.320 -99.200 -91.000 HIS 14 0.900 -0.695 -1.970 -17.048 -99.200 -91.000 PHE 18 1.000 4.983 -15.735 -21.666 -99.200 -91.000 PHE 22 1.000 -8.716 -12.648 -15.714 -99.200 -91.000 HIS 23 0.900 -1.767 -12.648 -23.689 -99.200 -91.000 HIS 43 0.900 -5.178 4.383 -22.772 -99.200 -91.000 PHE 46 1.000 -5.960 -2.063 -18.373 -99.200 -91.000 PHE 70 1.000 -16.699 -5.024 -24.046 -99.200 -91.000 HIS 79 0.900 -16.469 -22.194 -36.430 -99.200 -91.000 TRP 103 1.040 -19.588 -18.009 -20.109 -99.200 -91.000 TRP6 103 1.020 -18.679 -20.148 -19.670 -99.200 -91.000 PHE 107 1.000 -10.934 -22.607 -27.597 -99.200 -91.000