============================================================================= 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 60.096 -1.330 18.158 -99.200 -91.000 TYR 14 0.840 55.505 11.044 21.286 -99.200 -91.000 TYR 22 0.840 50.732 2.224 41.810 -99.200 -91.000 HIS 23 0.900 53.630 3.315 33.990 -99.200 -91.000 PHE 24 1.000 48.292 6.447 37.751 -99.200 -91.000 TRP 34 1.040 47.684 22.865 29.727 -99.200 -91.000 TRP6 34 1.020 45.744 22.329 30.931 -99.200 -91.000 HIS 40 0.900 41.347 3.637 31.192 -99.200 -91.000 TYR 42 0.840 40.506 12.062 38.879 -99.200 -91.000 PHE 64 1.000 61.003 11.524 38.920 -99.200 -91.000 HIS 73 0.900 34.454 15.077 26.926 -99.200 -91.000 TYR 76 0.840 35.444 8.051 31.783 -99.200 -91.000 TRP 121 1.040 58.053 2.603 30.823 -99.200 -91.000 TRP6 121 1.020 57.482 4.851 30.340 -99.200 -91.000 TYR 131 0.840 52.532 -4.929 34.664 -99.200 -91.000 TYR 152 0.840 36.799 -5.201 20.691 -99.200 -91.000 PHE 161 1.000 42.493 5.155 16.572 -99.200 -91.000 TYR 165 0.840 50.034 -5.843 13.847 -99.200 -91.000 TRP 193 1.040 37.494 0.209 24.983 -99.200 -91.000 TRP6 193 1.020 36.349 -1.650 24.113 -99.200 -91.000 TYR 206 0.840 44.777 1.801 20.414 -99.200 -91.000 TYR 212 0.840 37.190 13.306 22.286 -99.200 -91.000 TRP 215 1.040 36.635 19.298 26.102 -99.200 -91.000 TRP6 215 1.020 38.221 17.895 27.156 -99.200 -91.000