============================================================================= 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 13 1.000 -13.351 3.694 11.369 -99.200 -91.000 PHE 36 1.000 -19.222 7.663 7.917 -99.200 -91.000 TYR 51 0.840 -2.809 -15.969 -2.809 -99.200 -91.000 TYR 56 0.840 -2.604 -9.835 -1.191 -99.200 -91.000 TYR 66 0.840 -23.961 -1.884 4.030 -99.200 -91.000 PHE 68 1.000 -32.347 -4.066 4.063 -99.200 -91.000 PHE 75 1.000 -8.142 -8.890 -3.306 -99.200 -91.000 TRP 80 1.040 -1.645 -16.475 -11.092 -99.200 -91.000 TRP6 80 1.020 -1.845 -15.494 -13.229 -99.200 -91.000 HIS 81 0.900 -8.071 -16.748 -5.078 -99.200 -91.000 TRP 100 1.040 -25.641 -8.848 1.319 -99.200 -91.000 TRP6 100 1.020 -23.974 -7.994 2.769 -99.200 -91.000 TYR 134 0.840 -6.446 -23.871 -7.639 -99.200 -91.000 PHE 141 1.000 -3.001 -20.653 -7.994 -99.200 -91.000 TRP 148 1.040 1.366 -12.492 -10.447 -99.200 -91.000 TRP6 148 1.020 -0.221 -11.074 -11.518 -99.200 -91.000 HIS 150 0.900 9.478 -10.472 -3.848 -99.200 -91.000 TYR 152 0.840 2.226 -7.018 -9.299 -99.200 -91.000 TYR 162 0.840 7.677 -19.370 -11.960 -99.200 -91.000 PHE 174 1.000 10.328 -7.174 -24.934 -99.200 -91.000 TRP 188 1.040 5.507 -18.672 -14.870 -99.200 -91.000 TRP6 188 1.020 6.653 -16.661 -14.358 -99.200 -91.000