============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. HIS 7 0.900 10.567 -2.087 13.354 -99.200 -91.000 TRP 12 1.040 13.026 4.554 23.653 -99.200 -91.000 TRP6 12 1.020 11.853 2.781 24.692 -99.200 -91.000 PHE 30 1.000 12.732 -3.748 26.424 -99.200 -91.000 TRP 34 1.040 17.254 -14.649 18.826 -99.200 -91.000 TRP6 34 1.020 17.350 -15.354 21.080 -99.200 -91.000 PHE 45 1.000 2.998 -6.204 24.381 -99.200 -91.000 PHE 52 1.000 -6.338 -3.588 30.144 -99.200 -91.000 PHE 57 1.000 -0.725 -2.826 25.985 -99.200 -91.000 PHE 72 1.000 14.169 0.916 30.096 -99.200 -91.000 PHE 80 1.000 5.664 -9.682 27.787 -99.200 -91.000 PHE 82 1.000 3.456 -4.079 32.982 -99.200 -91.000 HIS 107 0.900 1.596 -1.612 37.422 -99.200 -91.000