============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. PHE 5 1.000 -6.791 -2.588 -0.705 -99.200 -91.000 TYR 9 0.840 1.630 -0.198 6.405 -99.200 -91.000 HIS 22 0.900 -8.658 3.082 -1.255 -99.200 -91.000 TYR 36 0.840 -2.539 -11.019 0.749 -99.200 -91.000 TRP 39 1.040 -8.404 -11.985 9.297 -99.200 -91.000 TRP6 39 1.020 -8.449 -13.199 7.259 -99.200 -91.000 TRP 54 1.040 -0.916 -16.070 -2.622 -99.200 -91.000 TRP6 54 1.020 0.675 -15.101 -1.185 -99.200 -91.000 HIS 56 0.900 -2.168 -13.902 -13.726 -99.200 -91.000 HIS 64 0.900 -4.415 -24.313 -8.705 -99.200 -91.000 TYR 65 0.840 -5.609 -25.085 0.055 -99.200 -91.000 TYR 82 0.840 2.001 -12.939 11.243 -99.200 -91.000 PHE 84 1.000 -1.041 -16.512 3.278 -99.200 -91.000 PHE 96 1.000 -9.250 -16.693 10.558 -99.200 -91.000 PHE 100 1.000 -5.816 -24.408 13.136 -99.200 -91.000