============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 7 1.000 -17.975 -17.018 35.315 -99.200 -91.000 TYR 9 0.840 -16.019 -3.692 32.961 -99.200 -91.000 PHE 13 1.000 -20.811 -8.601 30.921 -99.200 -91.000 TYR 26 0.840 -15.298 11.679 18.347 -99.200 -91.000 TYR 32 0.840 -5.761 5.998 18.783 -99.200 -91.000 TRP 37 1.040 -12.795 4.258 26.970 -99.200 -91.000 TRP6 37 1.020 -14.962 4.262 26.027 -99.200 -91.000 TYR 44 0.840 -5.649 7.354 32.867 -99.200 -91.000 TRP 46 1.040 -3.831 -1.977 36.608 -99.200 -91.000 TRP6 46 1.020 -2.832 -2.339 34.492 -99.200 -91.000 TYR 54 0.840 -12.143 3.579 44.373 -99.200 -91.000 PHE 57 1.000 -13.121 0.022 35.530 -99.200 -91.000 TRP 58 1.040 -19.806 7.230 35.291 -99.200 -91.000 TRP6 58 1.020 -20.346 6.241 33.214 -99.200 -91.000 TYR 67 0.840 -3.838 9.505 27.477 -99.200 -91.000 PHE 80 1.000 -18.899 13.307 22.564 -99.200 -91.000 TYR 88 0.840 -15.436 0.063 28.462 -99.200 -91.000 TYR 94 0.840 -16.176 -12.438 24.885 -99.200 -91.000 PHE 133 1.000 -23.128 -13.483 36.837 -99.200 -91.000 PHE 145 1.000 -10.410 1.193 40.427 -99.200 -91.000 HIS 148 0.900 -5.023 -3.179 47.805 -99.200 -91.000 TYR 152 0.840 -8.125 -10.305 43.161 -99.200 -91.000 PHE 168 1.000 -11.132 -13.752 39.809 -99.200 -91.000 PHE 174 1.000 -6.077 -6.575 35.143 -99.200 -91.000 PHE 182 1.000 -7.609 -12.718 48.796 -99.200 -91.000 PHE 184 1.000 -10.340 -15.737 45.255 -99.200 -91.000 PHE 212 1.000 -6.771 -4.291 23.915 -99.200 -91.000 TYR 222 0.840 2.598 -9.329 37.043 -99.200 -91.000 PHE 228 1.000 -8.159 -26.253 36.626 -99.200 -91.000