=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 1 rings
        ring        int.           center             anis.    iso.
       TYR  3     0.840    15.426   0.322  -8.234  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
2pvfB1 GLU 604 HA     0.03   0.02   0.13  -0.75   4.29     3.71
2pvfB1 GLU 605 H      0.06   0.18   0.08  -0.55   8.60     8.38
2pvfB1 GLU 605 HA    -0.09   0.08   0.47  -0.75   4.29     4.00
2pvfB1 GLU 605 HB2   -0.04  -0.01   0.06  -0.04   2.09     2.06
2pvfB1 GLU 605 HB3   -0.29  -0.02   0.07  -0.04   1.99     1.71
2pvfB1 GLU 605 HG2    0.04   0.02   0.07  -0.04   2.34     2.43
2pvfB1 GLU 605 HG3   -0.02  -0.01   0.03  -0.04   2.34     2.30
2pvfB1 TYR 606 H      0.20   0.17  -0.17  -0.55   8.29     7.94
2pvfB1 TYR 606 HA     0.00   0.13   0.91  -0.75   4.56     4.85
2pvfB1 TYR 606 HB2    0.00   0.02   0.10  -0.04   3.06     3.14
2pvfB1 TYR 606 HB3    0.00  -0.01  -0.02  -0.04   2.98     2.92
2pvfB1 TYR 606 HD2    0.00  -0.02  -0.02  -0.04   7.15     7.07
2pvfB1 TYR 606 HE2    0.00  -0.00  -0.03  -0.04   6.85     6.78
2pvfB1 LEU 607 H      0.03   0.15  -0.00  -0.55   8.37     8.00
2pvfB1 LEU 607 HA     0.05   0.24   0.69  -0.75   4.35     4.57
2pvfB1 LEU 607 HB2    0.00  -0.00   0.01  -0.04   1.64     1.61
2pvfB1 LEU 607 HB3    0.01  -0.01   0.02  -0.04   1.64     1.62
2pvfB1 LEU 607 HG     0.00   0.02  -0.57  -0.04   1.64     1.04
2pvfB1 LEU 607 HD13  -0.01  -0.00  -0.05  -0.04   0.93     0.83
2pvfB1 LEU 607 HD23   0.02   0.06  -0.14  -0.04   0.89     0.79