============================================================================= 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. HIS 21 0.900 8.645 -20.038 -26.415 -99.200 -91.000 PHE 23 1.000 3.850 -22.631 -23.836 -99.200 -91.000 TRP 31 1.040 -0.301 -24.381 -19.290 -99.200 -91.000 TRP6 31 1.020 -2.087 -23.096 -20.153 -99.200 -91.000 PHE 34 1.000 -2.296 -22.180 -31.327 -99.200 -91.000 HIS 46 0.900 1.822 -7.957 -37.043 -99.200 -91.000 PHE 54 1.000 -6.560 -17.536 -31.246 -99.200 -91.000 TYR 59 0.840 -5.642 -20.578 -27.762 -99.200 -91.000 TYR 68 0.840 13.595 -6.113 -23.933 -99.200 -91.000 TRP 69 1.040 13.443 -6.416 -18.383 -99.200 -91.000 TRP6 69 1.020 13.444 -4.166 -19.080 -99.200 -91.000 PHE 77 1.000 9.938 -9.759 -8.651 -99.200 -91.000 HIS 78 0.900 7.769 -9.480 -13.001 -99.200 -91.000 HIS 80 0.900 7.515 -17.386 -17.354 -99.200 -91.000 PHE 85 1.000 -5.702 -15.163 -24.950 -99.200 -91.000 TYR 95 0.840 -9.250 -12.935 -29.110 -99.200 -91.000 TYR 104 0.840 13.071 -5.545 -9.290 -99.200 -91.000 TYR 106 0.840 3.801 -9.002 -16.278 -99.200 -91.000