============================================================================= 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. TYR 6 0.840 -12.875 -7.193 -21.625 -99.200 -91.000 TYR 13 0.840 -18.748 -19.239 -33.577 -99.200 -91.000 TRP 16 1.040 -15.014 -17.498 -37.437 -99.200 -91.000 TRP6 16 1.020 -13.407 -17.525 -39.187 -99.200 -91.000 TRP 20 1.040 -17.807 -7.453 -39.415 -99.200 -91.000 TRP6 20 1.020 -18.070 -5.299 -38.455 -99.200 -91.000 PHE 21 1.000 -15.201 -5.011 -34.288 -99.200 -91.000 PHE 28 1.000 -9.351 -5.630 -32.871 -99.200 -91.000 TYR 36 0.840 -12.584 -21.871 -15.061 -99.200 -91.000 PHE 42 1.000 -14.627 -9.898 -18.904 -99.200 -91.000 TYR 43 0.840 -16.747 -15.625 -18.650 -99.200 -91.000 PHE 53 1.000 -25.949 -11.141 -23.482 -99.200 -91.000 PHE 62 1.000 -17.930 -4.306 -22.613 -99.200 -91.000 HIS 67 0.900 -22.119 -6.972 -23.298 -99.200 -91.000 PHE 71 1.000 -19.265 -14.081 -35.293 -99.200 -91.000