============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 1 0.840 -12.490 -42.820 -28.311 -99.200 -91.000 TRP 5 1.040 -14.426 -35.217 -26.007 -99.200 -91.000 TRP6 5 1.020 -13.665 -37.190 -27.065 -99.200 -91.000 PHE 18 1.000 -11.433 -40.798 -41.439 -99.200 -91.000 TRP 63 1.040 -10.325 -28.924 -41.789 -99.200 -91.000 TRP6 63 1.020 -8.555 -27.662 -40.811 -99.200 -91.000 TYR 72 0.840 -10.565 -16.748 -27.617 -99.200 -91.000 PHE 73 1.000 -17.402 -9.932 -26.377 -99.200 -91.000 TRP 94 1.040 -7.443 -27.253 -30.139 -99.200 -91.000 TRP6 94 1.020 -7.772 -27.801 -32.420 -99.200 -91.000 TRP 96 1.040 0.396 -23.692 -31.473 -99.200 -91.000 TRP6 96 1.020 2.397 -23.388 -30.234 -99.200 -91.000 TYR 102 0.840 -1.289 -36.751 -31.373 -99.200 -91.000 TRP 113 1.040 -17.395 -22.497 -45.954 -99.200 -91.000 TRP6 113 1.020 -17.187 -20.869 -47.670 -99.200 -91.000 PHE 115 1.000 -13.159 -18.145 -44.317 -99.200 -91.000 PHE 119 1.000 -5.063 -20.285 -43.390 -99.200 -91.000 PHE 136 1.000 -7.642 -23.912 -47.801 -99.200 -91.000 TRP 143 1.040 -13.401 -10.976 -39.193 -99.200 -91.000 TRP6 143 1.020 -15.691 -10.645 -38.716 -99.200 -91.000 HIS 161 0.900 8.820 -12.148 -47.158 -99.200 -91.000 TYR 166 0.840 -2.678 -10.870 -53.035 -99.200 -91.000 TYR 167 0.840 -3.495 -15.406 -50.991 -99.200 -91.000 PHE 174 1.000 -5.461 -19.304 -49.689 -99.200 -91.000 HIS 218 0.900 7.734 -35.902 -33.151 -99.200 -91.000 PHE 220 1.000 11.147 -31.105 -43.249 -99.200 -91.000 TRP 228 1.040 23.034 -27.481 -43.739 -99.200 -91.000 TRP6 228 1.020 23.280 -29.165 -45.411 -99.200 -91.000 TYR 234 0.840 16.752 -32.763 -33.623 -99.200 -91.000 TYR 236 0.840 24.666 -39.377 -37.885 -99.200 -91.000