============================================================================= 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 -35.315 -71.717 95.730 -99.200 -91.000 HIS 7 0.900 -40.980 -62.268 94.817 -99.200 -91.000 PHE 9 1.000 -45.002 -61.193 93.080 -99.200 -91.000 PHE 14 1.000 -39.519 -71.055 91.200 -99.200 -91.000 PHE 23 1.000 -30.187 -73.454 105.191 -99.200 -91.000 PHE 35 1.000 -19.241 -74.570 119.167 -99.200 -91.000 PHE 49 1.000 -14.974 -74.705 132.516 -99.200 -91.000 PHE 64 1.000 -27.348 -64.280 124.145 -99.200 -91.000 HIS 73 0.900 -21.952 -51.135 114.623 -99.200 -91.000 HIS 102 0.900 -15.558 -68.819 120.818 -99.200 -91.000 PHE 103 1.000 -9.711 -72.295 127.743 -99.200 -91.000 HIS 132 0.900 -45.505 -89.087 100.587 -99.200 -91.000 HIS 146 0.900 -49.250-105.053 83.891 -99.200 -91.000 TYR 152 0.840 -42.047 -89.871 71.163 -99.200 -91.000 TRP 170 1.040 -39.696 -90.409 84.932 -99.200 -91.000 TRP6 170 1.020 -42.006 -90.742 84.625 -99.200 -91.000 HIS 177 0.900 -30.124 -89.592 93.013 -99.200 -91.000 PHE 184 1.000 -22.615 -86.210 103.349 -99.200 -91.000 PHE 189 1.000 -25.500 -84.107 107.515 -99.200 -91.000 PHE 193 1.000 -13.359 -77.848 120.219 -99.200 -91.000 TRP 226 1.040 -14.869 -80.332 109.541 -99.200 -91.000 TRP6 226 1.020 -16.478 -79.029 108.412 -99.200 -91.000 HIS 227 0.900 -10.568 -74.567 111.719 -99.200 -91.000 PHE 236 1.000 -25.976 -82.077 102.331 -99.200 -91.000 PHE 250 1.000 -41.921 -86.970 87.511 -99.200 -91.000 PHE 281 1.000 -30.457 -72.099 91.990 -99.200 -91.000 HIS 290 0.900 -17.471 -80.144 93.147 -99.200 -91.000 TRP 304 1.040 -16.165 -70.462 106.128 -99.200 -91.000 TRP6 304 1.020 -15.708 -69.107 108.010 -99.200 -91.000 TRP 308 1.040 -20.317 -68.314 105.149 -99.200 -91.000 TRP6 308 1.020 -19.519 -66.297 106.056 -99.200 -91.000