============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. HIS 3 0.900 -7.002 -12.003 -1.451 -99.200 -91.000 TYR 9 0.840 -17.793 -24.043 -20.666 -99.200 -91.000 TYR 10 0.840 -19.987 -31.274 -17.238 -99.200 -91.000 TYR 39 0.840 -18.956 -10.794 -17.968 -99.200 -91.000 HIS 58 0.900 -0.675 -26.779 -13.458 -99.200 -91.000 TYR 62 0.840 -11.242 -31.826 -20.501 -99.200 -91.000 PHE 67 1.000 -8.837 -31.724 -7.401 -99.200 -91.000 PHE 68 1.000 -13.317 -37.352 -12.165 -99.200 -91.000 TYR 83 0.840 -37.536 -23.972 -13.691 -99.200 -91.000