============================================================================= 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. PHE 5 1.000 -19.886 -42.111 22.007 -99.200 -91.000 HIS 7 0.900 -24.107 -38.418 12.474 -99.200 -91.000 PHE 9 1.000 -23.014 -38.590 8.207 -99.200 -91.000 PHE 14 1.000 -16.403 -41.454 17.250 -99.200 -91.000 PHE 23 1.000 -26.794 -46.227 29.269 -99.200 -91.000 PHE 35 1.000 -38.375 -49.300 42.838 -99.200 -91.000 PHE 49 1.000 -48.875 -54.640 49.148 -99.200 -91.000 PHE 64 1.000 -47.024 -49.834 31.722 -99.200 -91.000 HIS 73 0.900 -48.731 -32.914 28.767 -99.200 -91.000 HIS 102 0.900 -43.390 -44.740 43.184 -99.200 -91.000 PHE 103 1.000 -47.456 -47.916 51.615 -99.200 -91.000 HIS 132 0.900 -12.373 -61.293 22.161 -99.200 -91.000 HIS 146 0.900 9.987 -65.521 20.554 -99.200 -91.000 TYR 152 0.840 11.020 -44.079 18.896 -99.200 -91.000 TRP 170 1.040 0.079 -50.875 24.204 -99.200 -91.000 TRP6 170 1.020 0.828 -51.994 22.281 -99.200 -91.000 HIS 177 0.900 -7.768 -50.259 33.766 -99.200 -91.000 PHE 184 1.000 -18.703 -49.993 41.195 -99.200 -91.000 PHE 189 1.000 -23.002 -52.382 38.777 -99.200 -91.000 PHE 193 1.000 -38.212 -49.151 49.266 -99.200 -91.000 TRP 226 1.040 -27.741 -45.620 47.022 -99.200 -91.000 TRP6 226 1.020 -27.637 -45.093 44.719 -99.200 -91.000 HIS 227 0.900 -33.516 -40.988 48.156 -99.200 -91.000 PHE 236 1.000 -20.106 -48.230 36.391 -99.200 -91.000 PHE 250 1.000 -4.007 -50.972 21.331 -99.200 -91.000 PHE 281 1.000 -17.243 -38.129 25.635 -99.200 -91.000 HIS 290 0.900 -14.823 -37.253 41.052 -99.200 -91.000 TRP 304 1.040 -30.932 -37.872 40.254 -99.200 -91.000 TRP6 304 1.020 -33.262 -37.777 40.298 -99.200 -91.000 TRP 308 1.040 -30.858 -37.868 35.517 -99.200 -91.000 TRP6 308 1.020 -32.960 -36.825 35.739 -99.200 -91.000