============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. HIS 7 0.900 -24.481 -21.815 -40.728 -99.200 -91.000 TRP 10 1.040 -24.230 -16.156 -41.391 -99.200 -91.000 TRP6 10 1.020 -23.773 -15.985 -39.075 -99.200 -91.000 TYR 13 0.840 -30.559 -14.088 -37.841 -99.200 -91.000 TYR 14 0.840 -24.725 -11.652 -40.079 -99.200 -91.000 PHE 19 1.000 -29.008 2.070 -41.201 -99.200 -91.000 PHE 26 1.000 -29.526 -4.462 -35.250 -99.200 -91.000 TYR 37 0.840 -32.676 -6.103 -14.512 -99.200 -91.000 TYR 39 0.840 -34.123 -3.296 -22.791 -99.200 -91.000 PHE 46 1.000 -13.908 6.074 -26.648 -99.200 -91.000 HIS 68 0.900 -12.643 -9.738 -28.054 -99.200 -91.000 PHE 72 1.000 -8.438 -3.896 -29.119 -99.200 -91.000 PHE 82 1.000 -20.127 0.412 -18.288 -99.200 -91.000 TYR 98 0.840 -28.993 5.535 -15.634 -99.200 -91.000 TYR 101 0.840 -20.360 6.024 -13.174 -99.200 -91.000 PHE 111 1.000 -14.415 -14.550 -15.097 -99.200 -91.000 TYR 157 0.840 -24.326 1.139 -26.111 -99.200 -91.000 PHE 159 1.000 -17.501 2.381 -33.296 -99.200 -91.000 HIS 161 0.900 -26.969 -0.460 -38.009 -99.200 -91.000 HIS 167 0.900 -29.243 -0.390 -32.684 -99.200 -91.000 TYR 182 0.840 -24.832 -16.226 -29.599 -99.200 -91.000 TYR 183 0.840 -28.046 -20.367 -37.151 -99.200 -91.000 PHE 185 1.000 -26.367 -6.909 -37.904 -99.200 -91.000 PHE 196 1.000 -29.274 -9.043 -19.807 -99.200 -91.000 HIS 206 0.900 -21.273 -11.607 -29.902 -99.200 -91.000 HIS 212 0.900 -21.790 -23.842 -36.367 -99.200 -91.000 HIS 217 0.900 -20.587 -22.456 -44.898 -99.200 -91.000 TYR 221 0.840 -17.050 -18.963 -28.289 -99.200 -91.000 TYR 228 0.840 -13.502 -21.383 -13.686 -99.200 -91.000