============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 2 1.000 68.941 -20.786 -7.396 -99.200 -91.000 TYR 30 0.840 67.835 -26.913 -27.708 -99.200 -91.000 HIS 31 0.900 66.704 -26.174 -22.881 -99.200 -91.000 HIS 53 0.900 49.406 -30.650 -6.575 -99.200 -91.000 HIS 56 0.900 53.893 -29.640 -10.252 -99.200 -91.000 PHE 92 1.000 58.074 -31.217 -6.376 -99.200 -91.000 TYR 106 0.840 46.647 -20.188 -9.055 -99.200 -91.000 TYR 107 0.840 38.713 -17.473 -9.190 -99.200 -91.000 TYR 116 0.840 55.727 -10.730 5.600 -99.200 -91.000 HIS 118 0.900 50.846 -18.408 -0.871 -99.200 -91.000 PHE 119 1.000 54.908 -15.778 -2.622 -99.200 -91.000 HIS 125 0.900 56.168 -24.766 8.032 -99.200 -91.000 TYR 133 0.840 55.790 -16.565 -12.781 -99.200 -91.000 PHE 181 1.000 65.127 -10.927 -3.742 -99.200 -91.000 PHE 194 1.000 63.993 -7.880 -14.810 -99.200 -91.000 HIS 200 0.900 70.944 -9.877 -10.354 -99.200 -91.000 HIS 225 0.900 81.198 -6.940 -23.107 -99.200 -91.000 PHE 226 1.000 74.156 -3.818 -20.536 -99.200 -91.000 HIS 240 0.900 62.815 -12.590 -27.117 -99.200 -91.000 PHE 244 1.000 54.780 -15.270 -24.635 -99.200 -91.000 TRP 254 1.040 53.392 -26.083 -35.166 -99.200 -91.000 TRP6 254 1.020 54.783 -24.645 -36.438 -99.200 -91.000 HIS 288 0.900 63.761 -11.378 -37.643 -99.200 -91.000