============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 4 1.000 21.397 53.404 9.388 -99.200 -91.000 TYR 7 0.840 33.597 53.753 9.582 -99.200 -91.000 TYR 14 0.840 34.364 45.790 3.532 -99.200 -91.000 PHE 15 1.000 30.602 47.601 7.603 -99.200 -91.000 PHE 19 1.000 24.681 49.887 1.168 -99.200 -91.000 PHE 23 1.000 26.833 45.814 4.810 -99.200 -91.000 TRP 25 1.040 25.940 41.332 9.472 -99.200 -91.000 TRP6 25 1.020 25.186 39.856 11.145 -99.200 -91.000 TYR 31 0.840 25.817 34.767 24.499 -99.200 -91.000 PHE 36 1.000 29.402 27.339 20.891 -99.200 -91.000 HIS 40 0.900 24.107 35.013 5.221 -99.200 -91.000 TYR 52 0.840 19.565 46.226 7.881 -99.200 -91.000 PHE 61 1.000 22.385 30.801 23.845 -99.200 -91.000 TRP 75 1.040 23.235 42.976 24.674 -99.200 -91.000 TRP6 75 1.020 24.727 41.186 25.097 -99.200 -91.000 TYR 83 0.840 41.501 41.684 12.565 -99.200 -91.000 HIS 104 0.900 28.922 43.502 34.130 -99.200 -91.000 HIS 108 0.900 36.096 36.466 21.065 -99.200 -91.000 HIS 110 0.900 35.123 34.413 17.887 -99.200 -91.000 TYR 113 0.840 31.500 42.978 10.193 -99.200 -91.000 PHE 127 1.000 43.576 46.164 15.217 -99.200 -91.000 HIS 128 0.900 38.320 50.353 11.625 -99.200 -91.000 PHE 129 1.000 40.942 49.855 18.912 -99.200 -91.000 HIS 132 0.900 29.044 48.625 16.785 -99.200 -91.000 TYR 146 0.840 11.942 43.032 23.610 -99.200 -91.000 TYR 149 0.840 20.499 55.533 20.371 -99.200 -91.000 TYR 156 0.840 42.897 55.118 12.998 -99.200 -91.000 HIS 166 0.900 53.727 52.259 14.957 -99.200 -91.000