============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 11 rings ring int. center anis. iso. TYR 4 0.840 12.193 -4.568 96.214 -99.200 -91.000 TRP 6 1.040 5.010 6.358 95.364 -99.200 -91.000 TRP6 6 1.020 4.793 7.590 93.357 -99.200 -91.000 TYR 27 0.840 -0.752 -17.028 88.125 -99.200 -91.000 PHE 42 1.000 26.349 -14.973 67.070 -99.200 -91.000 TRP 43 1.040 26.790 -12.410 71.858 -99.200 -91.000 TRP6 43 1.020 28.823 -13.270 70.976 -99.200 -91.000 PHE 47 1.000 29.864 -18.982 72.998 -99.200 -91.000 TRP 53 1.040 24.226 -13.541 83.020 -99.200 -91.000 TRP6 53 1.020 22.974 -11.805 82.001 -99.200 -91.000 TYR 76 0.840 -0.624 -25.281 91.863 -99.200 -91.000