============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 13 0.840 15.041 30.701 21.989 -99.200 -91.000 HIS 20 0.900 12.411 49.095 19.496 -99.200 -91.000 TYR 29 0.840 14.684 42.847 14.723 -99.200 -91.000 TYR 32 0.840 20.656 30.041 21.045 -99.200 -91.000 HIS 43 0.900 31.142 29.343 10.673 -99.200 -91.000 PHE 46 1.000 23.342 33.172 4.716 -99.200 -91.000 TYR 48 0.840 22.109 37.968 8.752 -99.200 -91.000 TYR 58 0.840 7.324 29.597 17.967 -99.200 -91.000 TRP 68 1.040 1.795 23.885 5.777 -99.200 -91.000 TRP6 68 1.020 2.360 22.765 7.779 -99.200 -91.000 TYR 77 0.840 1.723 28.879 1.533 -99.200 -91.000 PHE 99 1.000 12.216 21.750 10.613 -99.200 -91.000 PHE 103 1.000 18.643 26.183 16.841 -99.200 -91.000 TYR 132 0.840 -4.376 19.859 31.939 -99.200 -91.000 PHE 143 1.000 3.701 15.010 23.027 -99.200 -91.000 PHE 144 1.000 0.154 17.710 25.666 -99.200 -91.000 PHE 152 1.000 2.180 12.515 27.473 -99.200 -91.000 TRP 156 1.040 -6.619 16.430 21.669 -99.200 -91.000 TRP6 156 1.020 -6.008 18.631 21.055 -99.200 -91.000 TYR 158 0.840 -8.786 20.441 31.033 -99.200 -91.000 PHE 167 1.000 -5.822 24.467 23.142 -99.200 -91.000 TYR 185 0.840 -3.211 28.144 31.922 -99.200 -91.000 TYR 187 0.840 1.989 28.165 28.226 -99.200 -91.000 TYR 196 0.840 14.908 33.905 29.344 -99.200 -91.000 TYR 217 0.840 13.810 24.904 20.183 -99.200 -91.000 TRP 251 1.040 21.960 35.545 23.766 -99.200 -91.000 TRP6 251 1.020 21.455 37.849 23.980 -99.200 -91.000 TRP 252 1.040 18.245 29.859 28.814 -99.200 -91.000 TRP6 252 1.020 18.163 30.194 26.469 -99.200 -91.000 TYR 253 0.840 26.068 35.976 33.398 -99.200 -91.000