============================================================================= 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 27 0.840 27.203 -27.604 28.119 -99.200 -91.000 PHE 29 1.000 21.235 -25.933 29.048 -99.200 -91.000 TRP 33 1.040 10.535 -25.322 23.553 -99.200 -91.000 TRP6 33 1.020 8.208 -25.775 23.494 -99.200 -91.000 HIS 35 0.900 11.466 -25.570 17.066 -99.200 -91.000 TRP 36 1.040 10.949 -33.504 14.626 -99.200 -91.000 TRP6 36 1.020 12.409 -35.189 13.799 -99.200 -91.000 HIS 43 0.900 9.929 -26.842 -4.347 -99.200 -91.000 TRP 47 1.040 8.430 -24.978 13.028 -99.200 -91.000 TRP6 47 1.020 6.258 -24.959 13.971 -99.200 -91.000 TYR 55 0.840 4.601 -29.614 31.081 -99.200 -91.000 TYR 60 0.840 1.834 -31.695 16.156 -99.200 -91.000 PHE 80 1.000 11.577 -41.969 19.371 -99.200 -91.000 TYR 94 0.840 9.792 -35.279 6.241 -99.200 -91.000 TYR 95 0.840 17.746 -30.801 6.828 -99.200 -91.000 TYR 104 0.840 19.612 -18.447 18.900 -99.200 -91.000 PHE 105 1.000 14.567 -23.657 14.304 -99.200 -91.000 TRP 108 1.040 19.735 -26.330 11.704 -99.200 -91.000 TRP6 108 1.020 17.608 -26.205 10.668 -99.200 -91.000 TYR 127 0.840 29.650 -51.940 -12.052 -99.200 -91.000 TYR 150 0.840 21.947 -44.674 -5.693 -99.200 -91.000 PHE 151 1.000 13.649 -46.251 -5.127 -99.200 -91.000 TRP 159 1.040 36.343 -39.882 -4.279 -99.200 -91.000 TRP6 159 1.020 36.972 -41.533 -5.857 -99.200 -91.000 HIS 169 0.900 34.235 -31.666 -9.595 -99.200 -91.000 PHE 171 1.000 29.916 -35.025 -12.257 -99.200 -91.000 TYR 180 0.840 16.961 -42.166 -7.323 -99.200 -91.000 TRP 193 1.040 46.008 -43.850 -9.153 -99.200 -91.000 TRP6 193 1.020 45.634 -44.402 -11.426 -99.200 -91.000 HIS 204 0.900 21.422 -47.526 -0.863 -99.200 -91.000