============================================================================= 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 18.664 36.122 4.344 -99.200 -91.000 TYR 14 0.840 30.368 40.979 -0.880 -99.200 -91.000 HIS 23 0.900 32.227 26.075 -0.770 -99.200 -91.000 PHE 24 1.000 39.254 24.809 -0.633 -99.200 -91.000 TRP 34 1.040 45.706 41.013 -6.064 -99.200 -91.000 TRP6 34 1.020 47.320 39.535 -5.091 -99.200 -91.000 HIS 40 0.900 40.350 28.121 8.681 -99.200 -91.000 TYR 42 0.840 48.741 27.192 0.763 -99.200 -91.000 HIS 53 0.900 21.585 31.898 -5.286 -99.200 -91.000 PHE 64 1.000 33.249 27.340 -12.682 -99.200 -91.000 HIS 73 0.900 49.788 38.318 8.655 -99.200 -91.000 PHE 76 1.000 47.182 30.333 9.533 -99.200 -91.000 TRP 121 1.040 27.446 28.332 -2.066 -99.200 -91.000 TRP6 121 1.020 28.932 30.057 -2.810 -99.200 -91.000 TYR 131 0.840 28.707 20.575 4.541 -99.200 -91.000 TYR 152 0.840 34.401 31.423 21.386 -99.200 -91.000 PHE 165 1.000 21.887 37.193 15.684 -99.200 -91.000 TRP 193 1.040 38.731 31.046 16.048 -99.200 -91.000 TRP6 193 1.020 38.030 30.719 18.308 -99.200 -91.000 TYR 195 0.840 33.587 23.786 21.974 -99.200 -91.000 TYR 206 0.840 32.509 35.778 11.836 -99.200 -91.000 TYR 212 0.840 45.124 41.106 9.630 -99.200 -91.000 TRP 215 1.040 50.081 41.082 4.616 -99.200 -91.000 TRP6 215 1.020 48.399 39.527 3.916 -99.200 -91.000