============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 25 1.000 19.684 18.817 23.814 -99.200 -91.000 TYR 31 0.840 20.854 6.158 28.015 -99.200 -91.000 TRP 35 1.040 24.829 15.450 15.397 -99.200 -91.000 TRP6 35 1.020 23.758 17.212 14.239 -99.200 -91.000 PHE 36 1.000 20.137 8.636 13.224 -99.200 -91.000 TRP 53 1.040 26.524 10.316 32.289 -99.200 -91.000 TRP6 53 1.020 24.516 9.558 31.258 -99.200 -91.000 TYR 76 0.840 32.347 22.069 15.861 -99.200 -91.000 TYR 88 0.840 25.146 15.898 6.976 -99.200 -91.000 TYR 100 0.840 12.608 3.052 27.993 -99.200 -91.000 PHE 104 1.000 14.870 10.880 14.347 -99.200 -91.000 HIS 113 0.900 26.530 24.306 -5.065 -99.200 -91.000 TYR 115 0.840 38.109 25.957 -7.860 -99.200 -91.000 TYR 124 0.840 29.717 18.544 -25.702 -99.200 -91.000 PHE 139 1.000 24.535 23.758 -19.403 -99.200 -91.000 PHE 142 1.000 26.124 22.790 -15.548 -99.200 -91.000 TYR 157 0.840 9.092 14.876 -20.337 -99.200 -91.000 PHE 171 1.000 36.875 16.564 -15.280 -99.200 -91.000 TRP 179 1.040 13.513 12.769 -22.179 -99.200 -91.000 TRP6 179 1.020 14.310 12.981 -19.985 -99.200 -91.000 PHE 185 1.000 14.561 18.940 -27.286 -99.200 -91.000 PHE 191 1.000 20.196 21.358 -21.211 -99.200 -91.000