============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. HIS 20 0.900 31.699 46.598 47.912 -99.200 -91.000 PHE 22 1.000 31.177 45.994 54.701 -99.200 -91.000 TYR 33 0.840 35.255 49.667 85.901 -99.200 -91.000 PHE 51 1.000 29.776 50.761 52.843 -99.200 -91.000 TYR 53 0.840 35.075 52.667 58.192 -99.200 -91.000 PHE 60 1.000 33.627 48.726 62.705 -99.200 -91.000 PHE 64 1.000 35.556 49.373 76.194 -99.200 -91.000 TYR 67 0.840 25.422 52.715 83.071 -99.200 -91.000 TYR 74 0.840 20.657 44.373 80.242 -99.200 -91.000 PHE 75 1.000 24.538 48.434 78.360 -99.200 -91.000 PHE 79 1.000 30.858 41.677 79.404 -99.200 -91.000 TYR 83 0.840 26.583 43.740 75.942 -99.200 -91.000 TRP 85 1.040 25.501 45.460 70.356 -99.200 -91.000 TRP6 85 1.020 25.378 46.225 68.139 -99.200 -91.000 PHE 91 1.000 21.254 55.372 57.570 -99.200 -91.000 PHE 110 1.000 34.731 44.301 77.541 -99.200 -91.000 TYR 112 0.840 33.434 44.762 70.730 -99.200 -91.000 HIS 115 0.900 27.689 37.778 61.530 -99.200 -91.000 PHE 121 1.000 22.197 53.037 53.409 -99.200 -91.000 TRP 135 1.040 27.434 58.396 63.128 -99.200 -91.000 TRP6 135 1.020 25.191 58.078 62.385 -99.200 -91.000 TYR 143 0.840 12.606 52.022 76.258 -99.200 -91.000 HIS 155 0.900 23.366 59.659 66.383 -99.200 -91.000 HIS 164 0.900 22.953 68.519 61.177 -99.200 -91.000 HIS 165 0.900 20.369 61.036 55.301 -99.200 -91.000 PHE 169 1.000 22.037 54.846 65.218 -99.200 -91.000 TYR 173 0.840 21.940 48.038 74.011 -99.200 -91.000 TYR 184 0.840 12.538 57.238 83.098 -99.200 -91.000 HIS 185 0.900 20.121 53.975 82.265 -99.200 -91.000 PHE 186 1.000 17.098 60.220 79.867 -99.200 -91.000 HIS 189 0.900 26.070 57.856 71.400 -99.200 -91.000 HIS 196 0.900 39.668 59.711 56.252 -99.200 -91.000 TYR 200 0.840 36.868 57.395 55.159 -99.200 -91.000 TYR 206 0.840 37.746 58.999 72.226 -99.200 -91.000 TYR 213 0.840 18.930 57.348 87.651 -99.200 -91.000