============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 4 1.000 5.376 17.340 -3.279 -99.200 -91.000 TYR 18 0.840 -9.368 10.387 7.273 -99.200 -91.000 TYR 24 0.840 -3.435 1.724 12.561 -99.200 -91.000 TYR 25 0.840 -8.397 7.825 16.621 -99.200 -91.000 HIS 31 0.900 0.731 14.051 9.798 -99.200 -91.000 PHE 67 1.000 0.920 16.082 -0.086 -99.200 -91.000 TYR 88 0.840 13.356 5.888 -4.524 -99.200 -91.000 PHE 103 1.000 2.029 10.769 2.292 -99.200 -91.000 PHE 113 1.000 4.396 -5.483 1.724 -99.200 -91.000 TRP 125 1.040 8.572 -3.856 -14.741 -99.200 -91.000 TRP6 125 1.020 9.815 -2.905 -12.963 -99.200 -91.000 TRP 137 1.040 -1.483 -0.125 1.029 -99.200 -91.000 TRP6 137 1.020 -0.313 -0.290 -1.021 -99.200 -91.000 TYR 138 0.840 -5.414 -4.027 -4.342 -99.200 -91.000 PHE 152 1.000 5.607 0.031 -6.766 -99.200 -91.000 TRP 157 1.040 3.304 10.134 -14.219 -99.200 -91.000 TRP6 157 1.020 3.057 9.888 -11.890 -99.200 -91.000 TYR 160 0.840 -2.133 8.106 -9.541 -99.200 -91.000