============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. HIS 1 0.900 94.970 -45.788 -8.779 -99.200 -91.000 HIS 2 0.900 95.140 -47.790 -17.230 -99.200 -91.000 TYR 30 0.840 135.010 -49.886 -6.844 -99.200 -91.000 TRP 36 1.040 142.741 -55.900 2.635 -99.200 -91.000 TRP6 36 1.020 144.850 -54.964 2.099 -99.200 -91.000 TYR 38 0.840 139.438 -45.430 5.414 -99.200 -91.000 HIS 40 0.900 145.033 -54.991 5.738 -99.200 -91.000 PHE 48 1.000 140.056 -43.179 -6.099 -99.200 -91.000 PHE 50 1.000 132.712 -43.607 2.706 -99.200 -91.000 HIS 52 0.900 134.694 -45.467 -8.170 -99.200 -91.000 TYR 57 0.840 122.655 -45.980 -3.027 -99.200 -91.000 HIS 59 0.900 127.734 -43.093 -11.402 -99.200 -91.000 PHE 66 1.000 115.314 -43.163 -18.587 -99.200 -91.000 HIS 84 0.900 136.076 -61.795 3.647 -99.200 -91.000 PHE 86 1.000 139.654 -57.014 -1.701 -99.200 -91.000 PHE 93 1.000 143.371 -48.280 -6.203 -99.200 -91.000 TYR 97 0.840 142.163 -50.359 -16.256 -99.200 -91.000 HIS 99 0.900 133.321 -53.926 -10.586 -99.200 -91.000 HIS 102 0.900 131.153 -56.818 -15.826 -99.200 -91.000 HIS 113 0.900 118.449 -54.491 -26.886 -99.200 -91.000 HIS 120 0.900 117.849 -42.993 -31.227 -99.200 -91.000 PHE 123 1.000 122.645 -42.513 -28.184 -99.200 -91.000 PHE 125 1.000 118.839 -41.658 -17.597 -99.200 -91.000 TRP 128 1.040 123.190 -39.418 -16.816 -99.200 -91.000 TRP6 128 1.020 124.024 -40.719 -15.020 -99.200 -91.000 TYR 129 0.840 125.665 -45.512 -15.967 -99.200 -91.000 HIS 134 0.900 136.656 -42.079 -21.482 -99.200 -91.000 PHE 140 1.000 138.909 -47.029 -9.686 -99.200 -91.000 HIS 155 0.900 160.952 -44.832 2.803 -99.200 -91.000 TYR 158 0.840 154.207 -41.591 3.338 -99.200 -91.000 TYR 163 0.840 149.375 -39.902 -8.030 -99.200 -91.000