============================================================================= 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 -1.270 27.699 16.443 -99.200 -91.000 HIS 27 0.900 1.950 48.339 29.384 -99.200 -91.000 PHE 28 1.000 9.624 50.996 22.778 -99.200 -91.000 TYR 40 0.840 10.117 35.660 27.970 -99.200 -91.000 TYR 64 0.840 24.240 22.626 23.117 -99.200 -91.000 TYR 71 0.840 11.035 26.521 23.397 -99.200 -91.000 PHE 78 1.000 12.036 28.377 13.607 -99.200 -91.000 PHE 82 1.000 14.522 44.063 7.951 -99.200 -91.000 PHE 90 1.000 17.047 43.467 3.843 -99.200 -91.000 HIS 94 0.900 21.461 33.455 2.504 -99.200 -91.000 TYR 96 0.840 20.527 36.095 12.677 -99.200 -91.000 TYR 137 0.840 15.301 34.585 2.506 -99.200 -91.000 TYR 141 0.840 9.055 43.503 4.829 -99.200 -91.000 PHE 156 1.000 5.302 37.880 17.935 -99.200 -91.000 TYR 157 0.840 -3.053 37.536 16.473 -99.200 -91.000 HIS 166 0.900 5.519 22.476 7.723 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs =============================================================================