============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 5 0.840 18.713 35.315 4.546 -99.200 -91.000 TYR 14 0.840 30.541 39.683 -0.764 -99.200 -91.000 HIS 23 0.900 31.902 24.772 -0.389 -99.200 -91.000 PHE 24 1.000 38.890 23.422 -0.153 -99.200 -91.000 TRP 34 1.040 46.062 38.775 -5.714 -99.200 -91.000 TRP6 34 1.020 47.639 37.315 -4.628 -99.200 -91.000 HIS 40 0.900 39.671 26.886 9.347 -99.200 -91.000 TYR 42 0.840 48.188 24.784 1.880 -99.200 -91.000 HIS 53 0.900 21.707 30.841 -5.221 -99.200 -91.000 PHE 64 1.000 33.139 25.704 -12.255 -99.200 -91.000 HIS 73 0.900 49.753 36.627 8.949 -99.200 -91.000 PHE 76 1.000 46.567 28.724 10.637 -99.200 -91.000 TRP 121 1.040 27.132 27.225 -1.791 -99.200 -91.000 TRP6 121 1.020 28.595 28.883 -2.553 -99.200 -91.000 TYR 131 0.840 28.228 19.834 4.887 -99.200 -91.000 TYR 152 0.840 34.260 30.811 21.750 -99.200 -91.000 PHE 165 1.000 21.970 36.409 15.926 -99.200 -91.000 TRP 193 1.040 38.546 30.518 16.533 -99.200 -91.000 TRP6 193 1.020 38.047 30.179 18.810 -99.200 -91.000 TYR 195 0.840 33.259 23.045 22.466 -99.200 -91.000 TYR 206 0.840 32.456 34.799 12.081 -99.200 -91.000 TYR 212 0.840 45.071 39.641 9.964 -99.200 -91.000 TRP 215 1.040 50.025 39.044 5.099 -99.200 -91.000 TRP6 215 1.020 48.346 37.538 4.347 -99.200 -91.000