============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TYR 16 0.840 32.300 44.075 43.594 -99.200 -91.000 HIS 23 0.900 22.310 38.384 19.811 -99.200 -91.000 TRP 27 1.040 21.696 24.994 23.730 -99.200 -91.000 TRP6 27 1.020 19.767 23.639 23.462 -99.200 -91.000 PHE 30 1.000 16.285 28.946 23.574 -99.200 -91.000 PHE 32 1.000 23.249 29.839 26.967 -99.200 -91.000 TYR 38 0.840 30.707 47.154 36.242 -99.200 -91.000 HIS 56 0.900 31.926 35.677 29.347 -99.200 -91.000 HIS 58 0.900 34.828 30.542 22.028 -99.200 -91.000 TYR 105 0.840 39.684 44.173 34.961 -99.200 -91.000 TYR 106 0.840 45.596 43.243 35.075 -99.200 -91.000 TYR 108 0.840 38.618 50.510 39.861 -99.200 -91.000 PHE 109 1.000 37.556 43.898 39.310 -99.200 -91.000 TYR 115 0.840 44.466 35.243 35.738 -99.200 -91.000 HIS 116 0.900 47.398 42.156 30.073 -99.200 -91.000 HIS 119 0.900 46.608 32.143 33.696 -99.200 -91.000 PHE 121 1.000 41.154 35.415 31.768 -99.200 -91.000 PHE 123 1.000 42.499 44.467 30.414 -99.200 -91.000 TRP 124 1.040 36.744 41.410 24.507 -99.200 -91.000 TRP6 124 1.020 35.521 41.050 22.502 -99.200 -91.000 TRP 131 1.040 23.311 54.254 28.959 -99.200 -91.000 TRP6 131 1.020 24.953 53.131 30.253 -99.200 -91.000 PHE 133 1.000 17.896 54.456 37.402 -99.200 -91.000 PHE 137 1.000 9.123 55.587 46.087 -99.200 -91.000 HIS 141 0.900 13.189 57.854 34.692 -99.200 -91.000 TRP 142 1.040 13.275 52.596 27.364 -99.200 -91.000 TRP6 142 1.020 14.800 50.956 26.592 -99.200 -91.000 PHE 154 1.000 40.577 63.739 38.722 -99.200 -91.000 HIS 165 0.900 52.677 60.287 46.548 -99.200 -91.000 HIS 170 0.900 47.764 61.431 53.408 -99.200 -91.000 HIS 176 0.900 37.139 59.616 60.223 -99.200 -91.000 TYR 177 0.840 38.783 58.876 53.360 -99.200 -91.000 HIS 186 0.900 36.334 40.928 59.845 -99.200 -91.000 PHE 199 1.000 36.839 58.045 48.332 -99.200 -91.000 HIS 200 0.900 34.943 52.881 42.109 -99.200 -91.000 HIS 208 0.900 32.499 47.894 49.757 -99.200 -91.000 TRP 209 1.040 31.921 55.961 43.393 -99.200 -91.000 TRP6 209 1.020 30.126 57.468 43.676 -99.200 -91.000 PHE 212 1.000 35.992 62.805 45.550 -99.200 -91.000 TRP 235 1.040 30.031 60.638 52.982 -99.200 -91.000 TRP6 235 1.020 31.971 59.293 52.902 -99.200 -91.000