============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 13 1.000 6.452 -13.303 -5.248 -99.200 -91.000 PHE 15 1.000 -3.565 -18.623 -4.819 -99.200 -91.000 HIS 19 0.900 -13.751 -18.833 -5.240 -99.200 -91.000 PHE 20 1.000 -19.070 -24.174 -5.515 -99.200 -91.000 PHE 23 1.000 -22.443 -17.037 2.928 -99.200 -91.000 PHE 26 1.000 -23.985 -16.081 -1.886 -99.200 -91.000 HIS 31 0.900 -16.523 -17.162 -8.973 -99.200 -91.000 HIS 33 0.900 -12.076 -14.453 -8.408 -99.200 -91.000 TYR 35 0.840 -7.991 -16.761 -5.626 -99.200 -91.000 TYR 50 0.840 20.680 -8.796 1.860 -99.200 -91.000 PHE 54 1.000 13.531 -7.464 -0.437 -99.200 -91.000 HIS 70 0.900 -2.926 -23.431 -14.817 -99.200 -91.000 HIS 71 0.900 -3.988 -28.099 -8.804 -99.200 -91.000 PHE 72 1.000 -13.740 -26.437 -6.904 -99.200 -91.000 TYR 77 0.840 -10.990 -29.281 8.121 -99.200 -91.000 PHE 90 1.000 -11.628 -35.013 -3.965 -99.200 -91.000 TYR 100 0.840 -20.854 -27.009 -8.715 -99.200 -91.000 PHE 102 1.000 -15.361 -29.309 -9.884 -99.200 -91.000 HIS 114 0.900 -17.162 -20.511 5.048 -99.200 -91.000 TYR 123 0.840 -3.359 -23.941 2.762 -99.200 -91.000 PHE 136 1.000 16.401 -18.615 7.364 -99.200 -91.000 TYR 144 0.840 3.170 -7.711 11.372 -99.200 -91.000 HIS 160 0.900 -1.970 -9.007 12.255 -99.200 -91.000