============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. TYR 4 0.840 27.102 42.490 -2.529 -99.200 -91.000 HIS 27 0.900 34.624 64.450 -0.493 -99.200 -91.000 PHE 28 1.000 27.294 67.993 3.838 -99.200 -91.000 TYR 37 0.840 30.566 58.864 -8.194 -99.200 -91.000 TYR 61 0.840 9.672 54.974 -18.371 -99.200 -91.000 TYR 68 0.840 18.770 54.775 -13.549 -99.200 -91.000 PHE 75 1.000 16.814 49.318 -8.213 -99.200 -91.000 PHE 79 1.000 11.742 60.039 3.510 -99.200 -91.000 PHE 87 1.000 7.015 59.732 3.527 -99.200 -91.000 HIS 91 0.900 3.225 56.519 -1.638 -99.200 -91.000 TYR 93 0.840 11.799 58.893 -7.704 -99.200 -91.000 TYR 134 0.840 5.615 50.962 -1.351 -99.200 -91.000 TYR 138 0.840 12.605 55.633 7.690 -99.200 -91.000 PHE 153 1.000 25.036 54.415 0.168 -99.200 -91.000 TYR 154 0.840 28.743 49.166 4.644 -99.200 -91.000 HIS 163 0.900 15.739 39.441 -5.649 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs =============================================================================