============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. TRP 3 1.040 24.257 37.941 15.836 -99.200 -91.000 TRP6 3 1.020 22.927 36.635 17.299 -99.200 -91.000 TYR 4 0.840 18.730 38.877 20.827 -99.200 -91.000 TYR 5 0.840 12.998 42.230 16.041 -99.200 -91.000 HIS 11 0.900 0.860 36.371 19.696 -99.200 -91.000 HIS 22 0.900 7.322 44.584 3.413 -99.200 -91.000 PHE 26 1.000 17.387 37.317 8.506 -99.200 -91.000 PHE 38 1.000 20.700 32.522 20.318 -99.200 -91.000 HIS 50 0.900 8.079 31.124 14.054 -99.200 -91.000 PHE 51 1.000 13.159 27.835 8.796 -99.200 -91.000 TYR 60 0.840 36.966 30.904 27.191 -99.200 -91.000 PHE 67 1.000 36.587 27.757 35.369 -99.200 -91.000 HIS 76 0.900 37.429 27.794 40.319 -99.200 -91.000 TYR 77 0.840 41.705 27.982 38.186 -99.200 -91.000 PHE 83 1.000 52.074 23.818 40.144 -99.200 -91.000 TYR 92 0.840 45.477 30.600 46.363 -99.200 -91.000 HIS 96 0.900 43.660 40.357 33.782 -99.200 -91.000