============================================================================= 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 27.079 42.427 -2.625 -99.200 -91.000 HIS 27 0.900 34.529 64.685 -0.586 -99.200 -91.000 PHE 28 1.000 27.320 67.869 3.630 -99.200 -91.000 TYR 40 0.840 30.666 58.750 -7.734 -99.200 -91.000 TYR 64 0.840 9.819 55.138 -18.955 -99.200 -91.000 TYR 71 0.840 18.492 54.949 -13.554 -99.200 -91.000 PHE 78 1.000 16.669 49.438 -8.408 -99.200 -91.000 PHE 82 1.000 11.810 59.918 3.576 -99.200 -91.000 PHE 90 1.000 7.135 59.606 3.695 -99.200 -91.000 HIS 94 0.900 3.192 56.529 -1.621 -99.200 -91.000 TYR 96 0.840 11.811 59.336 -7.507 -99.200 -91.000 TYR 137 0.840 6.671 51.585 -0.222 -99.200 -91.000 TYR 141 0.840 12.471 55.484 7.770 -99.200 -91.000 PHE 156 1.000 25.052 54.352 -0.030 -99.200 -91.000 TYR 157 0.840 28.801 49.013 4.624 -99.200 -91.000 HIS 166 0.900 16.023 39.223 -6.143 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs =============================================================================