============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 10 1.000 43.799 6.358 -5.675 -99.200 -91.000 TYR 12 0.840 41.257 11.749 -3.014 -99.200 -91.000 HIS 22 0.900 49.688 11.486 -3.694 -99.200 -91.000 PHE 23 1.000 48.795 5.988 -9.793 -99.200 -91.000 TYR 26 0.840 55.514 3.234 -0.872 -99.200 -91.000 PHE 37 1.000 49.984 -10.270 5.596 -99.200 -91.000 TYR 47 0.840 60.990 0.743 2.857 -99.200 -91.000 PHE 53 1.000 48.447 -2.105 4.567 -99.200 -91.000 PHE 55 1.000 46.899 -7.303 3.188 -99.200 -91.000 PHE 84 1.000 52.254 -9.193 -10.252 -99.200 -91.000 PHE 97 1.000 32.971 -3.088 -3.628 -99.200 -91.000 TRP 110 1.040 27.380 -2.613 -2.915 -99.200 -91.000 TRP6 110 1.020 27.422 -4.836 -3.724 -99.200 -91.000 PHE 111 1.000 30.200 -8.189 -1.246 -99.200 -91.000 TRP 121 1.040 16.187 -13.557 5.377 -99.200 -91.000 TRP6 121 1.020 16.891 -11.308 5.128 -99.200 -91.000 HIS 123 0.900 13.267 -15.357 2.457 -99.200 -91.000 HIS 128 0.900 13.043 -29.988 11.607 -99.200 -91.000 PHE 146 1.000 31.375 -26.031 0.637 -99.200 -91.000 PHE 170 1.000 24.627 -5.829 -12.546 -99.200 -91.000 PHE 182 1.000 19.927 -17.762 0.871 -99.200 -91.000 HIS 187 0.900 17.692 -26.893 4.452 -99.200 -91.000 TYR 195 0.840 14.472 -16.904 -5.068 -99.200 -91.000 TYR 196 0.840 10.187 -10.386 -12.780 -99.200 -91.000 PHE 206 1.000 15.019 -9.646 -16.635 -99.200 -91.000 HIS 215 0.900 33.070 -18.347 -14.867 -99.200 -91.000 TYR 230 0.840 18.999 -22.368 -12.656 -99.200 -91.000