============================================================================= 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 1 0.900 96.477 46.737 -21.502 -99.200 -91.000 TRP 2 1.040 93.683 50.078 -20.741 -99.200 -91.000 TRP6 2 1.020 94.648 52.239 -20.779 -99.200 -91.000 TYR 4 0.840 95.780 56.984 -22.805 -99.200 -91.000 TRP 10 1.040 89.596 53.190 -23.596 -99.200 -91.000 TRP6 10 1.020 90.274 54.933 -22.149 -99.200 -91.000 PHE 21 1.000 76.185 61.058 -13.240 -99.200 -91.000 PHE 34 1.000 83.647 79.676 -0.124 -99.200 -91.000 PHE 46 1.000 101.672 61.930 0.873 -99.200 -91.000 HIS 60 0.900 98.882 51.646 -18.658 -99.200 -91.000 TYR 80 0.840 90.154 58.596 0.906 -99.200 -91.000 HIS 86 0.900 98.466 57.570 -12.640 -99.200 -91.000 HIS 88 0.900 97.054 60.436 -17.015 -99.200 -91.000 TRP 89 1.040 103.813 61.956 -21.595 -99.200 -91.000 TRP6 89 1.020 104.067 60.371 -19.861 -99.200 -91.000 HIS 99 0.900 90.750 66.264 -13.863 -99.200 -91.000 HIS 104 0.900 95.832 76.592 -20.806 -99.200 -91.000 PHE 106 1.000 96.341 74.171 -16.661 -99.200 -91.000 HIS 111 0.900 95.621 62.012 -12.837 -99.200 -91.000 HIS 114 0.900 96.221 59.836 -2.004 -99.200 -91.000 PHE 119 1.000 85.936 50.544 0.366 -99.200 -91.000 PHE 138 1.000 95.174 71.231 -14.118 -99.200 -91.000 TYR 149 0.840 107.027 67.006 -10.773 -99.200 -91.000 PHE 181 1.000 99.669 70.043 0.367 -99.200 -91.000 TYR 184 0.840 90.504 71.071 -1.637 -99.200 -91.000 PHE 185 1.000 88.842 74.822 -9.177 -99.200 -91.000 TYR 187 0.840 85.510 65.863 -11.025 -99.200 -91.000 TRP 202 1.040 88.776 62.109 -10.422 -99.200 -91.000 TRP6 202 1.020 91.011 61.866 -11.156 -99.200 -91.000 PHE 205 1.000 96.942 69.675 -4.535 -99.200 -91.000 HIS 217 0.900 112.129 66.970 -25.998 -99.200 -91.000 TRP 224 1.040 111.186 53.863 -27.226 -99.200 -91.000 TRP6 224 1.020 110.718 54.640 -29.410 -99.200 -91.000 PHE 235 1.000 95.408 64.425 -24.002 -99.200 -91.000 PHE 250 1.000 89.758 78.412 -5.162 -99.200 -91.000