============================================================================= 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. TYR 27 0.840 0.944 15.138 38.050 -99.200 -91.000 PHE 29 1.000 0.232 10.186 33.006 -99.200 -91.000 HIS 32 0.900 6.158 14.918 39.844 -99.200 -91.000 TRP 36 1.040 -0.624 1.396 40.437 -99.200 -91.000 TRP6 36 1.020 -2.819 1.983 41.061 -99.200 -91.000 HIS 41 0.900 -5.473 -7.917 57.135 -99.200 -91.000 TRP 47 1.040 6.635 0.169 45.278 -99.200 -91.000 TRP6 47 1.020 8.140 -1.180 44.049 -99.200 -91.000 HIS 52 0.900 9.798 7.923 33.628 -99.200 -91.000 HIS 54 0.900 8.812 11.147 28.135 -99.200 -91.000 TYR 60 0.840 5.228 -5.356 37.179 -99.200 -91.000 PHE 64 1.000 1.962 -7.492 45.670 -99.200 -91.000 TYR 80 0.840 -6.115 2.630 32.732 -99.200 -91.000 TYR 94 0.840 -5.033 -3.771 45.612 -99.200 -91.000 TYR 95 0.840 -4.671 3.950 49.872 -99.200 -91.000 PHE 101 1.000 11.473 11.676 37.582 -99.200 -91.000 TYR 103 0.840 12.279 20.167 44.075 -99.200 -91.000 HIS 104 0.900 9.299 16.686 46.320 -99.200 -91.000 TYR 105 0.840 15.338 12.925 44.549 -99.200 -91.000 TYR 109 0.840 -0.074 16.786 45.694 -99.200 -91.000 TRP 110 1.040 0.580 8.715 48.937 -99.200 -91.000 TRP6 110 1.020 0.693 6.424 49.473 -99.200 -91.000 TYR 129 0.840 -27.878 -15.499 66.780 -99.200 -91.000 TYR 152 0.840 -23.351 -8.024 58.079 -99.200 -91.000 PHE 153 1.000 -20.502 -10.937 50.509 -99.200 -91.000 TRP 161 1.040 -29.666 0.062 69.695 -99.200 -91.000 TRP6 161 1.020 -29.906 -1.968 70.861 -99.200 -91.000 HIS 171 0.900 -20.796 3.888 72.502 -99.200 -91.000 PHE 173 1.000 -18.785 -1.417 69.829 -99.200 -91.000 TYR 182 0.840 -17.918 -8.368 55.358 -99.200 -91.000 TRP 195 1.040 -33.863 -4.248 79.186 -99.200 -91.000 TRP6 195 1.020 -32.407 -5.686 80.376 -99.200 -91.000 HIS 206 0.900 -27.766 -7.813 54.190 -99.200 -91.000