============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. HIS 6 0.900 43.254 22.940 1.730 -99.200 -91.000 PHE 10 1.000 29.499 22.847 -0.292 -99.200 -91.000 PHE 12 1.000 33.782 16.813 -7.936 -99.200 -91.000 HIS 16 0.900 34.550 15.549 -16.180 -99.200 -91.000 TYR 37 0.840 39.490 30.811 -8.567 -99.200 -91.000 TRP 38 1.040 38.874 22.746 -12.026 -99.200 -91.000 TRP6 38 1.020 37.559 20.781 -11.897 -99.200 -91.000 TYR 39 0.840 41.962 24.396 -3.554 -99.200 -91.000 TYR 42 0.840 46.628 10.226 0.026 -99.200 -91.000 PHE 51 1.000 39.318 19.520 -3.759 -99.200 -91.000 TYR 54 0.840 35.078 29.297 -4.563 -99.200 -91.000 TYR 55 0.840 31.938 20.866 -4.570 -99.200 -91.000