============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. HIS 2 0.900 -17.554 18.254 31.927 -99.200 -91.000 PHE 26 1.000 -13.061 21.248 34.288 -99.200 -91.000 TYR 31 0.840 -11.181 19.201 38.760 -99.200 -91.000 HIS 34 0.900 -2.142 16.315 31.542 -99.200 -91.000 TRP 35 1.040 -3.182 23.376 26.412 -99.200 -91.000 TRP6 35 1.020 -4.860 23.790 24.785 -99.200 -91.000 PHE 36 1.000 -2.372 14.660 26.698 -99.200 -91.000 TRP 46 1.040 1.895 16.315 28.715 -99.200 -91.000 TRP6 46 1.020 3.956 16.778 29.786 -99.200 -91.000 TRP 51 1.040 1.356 20.656 38.155 -99.200 -91.000 TRP6 51 1.020 0.924 18.637 39.339 -99.200 -91.000 TYR 58 0.840 5.611 24.785 29.575 -99.200 -91.000 PHE 78 1.000 -6.376 32.460 27.706 -99.200 -91.000 TYR 92 0.840 -1.939 21.731 18.204 -99.200 -91.000 TYR 93 0.840 -7.796 15.487 20.448 -99.200 -91.000 PHE 97 1.000 -3.094 15.696 36.810 -99.200 -91.000 PHE 99 1.000 -2.079 14.912 42.267 -99.200 -91.000 TYR 102 0.840 2.607 12.890 44.477 -99.200 -91.000 TYR 104 0.840 -1.810 10.113 38.641 -99.200 -91.000 TYR 108 0.840 -15.275 14.227 32.259 -99.200 -91.000 TRP 109 1.040 -8.791 12.951 26.958 -99.200 -91.000 TRP6 109 1.020 -6.830 13.220 25.690 -99.200 -91.000 TYR 128 0.840 -19.887 20.433 -7.456 -99.200 -91.000 TYR 151 0.840 -12.327 19.861 2.497 -99.200 -91.000 PHE 152 1.000 -4.686 23.891 2.832 -99.200 -91.000 TRP 160 1.040 -26.003 13.518 5.159 -99.200 -91.000 TRP6 160 1.020 -26.615 13.851 2.898 -99.200 -91.000 HIS 170 0.900 -22.722 4.314 5.669 -99.200 -91.000 PHE 172 1.000 -18.557 6.886 2.029 -99.200 -91.000 TYR 181 0.840 -6.747 17.823 3.044 -99.200 -91.000 TRP 194 1.040 -35.264 11.092 -2.929 -99.200 -91.000 TRP6 194 1.020 -34.577 13.355 -3.055 -99.200 -91.000 HIS 205 0.900 -13.111 24.860 4.905 -99.200 -91.000