=============================================================================
          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  1     0.840    -4.480  17.811  25.960  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
2nphT1 TYR   5 HA     0.00  -0.09   0.21  -0.75   4.56     3.92
2nphT1 TYR   5 HB2    0.00  -0.00   0.03  -0.04   3.06     3.04
2nphT1 TYR   5 HB3    0.00  -0.01   0.06  -0.04   2.98     2.99
2nphT1 TYR   5 HD2    0.00  -0.00  -0.06  -0.04   7.15     7.05
2nphT1 TYR   5 HE2    0.00   0.01  -0.10  -0.04   6.85     6.72
2nphT1 VAL   6 H     -0.15   0.20   0.08  -0.55   8.24     7.82
2nphT1 VAL   6 HA    -0.37   0.17   0.86  -0.75   4.13     4.03
2nphT1 VAL   6 HB    -0.10  -0.02   0.08  -0.04   2.12     2.04
2nphT1 VAL   6 HG13  -0.11  -0.02  -0.16  -0.04   0.97     0.65
2nphT1 VAL   6 HG23  -0.07   0.02  -0.14  -0.04   0.95     0.71
2nphT1 ASP   7 H     -0.40   0.23   0.06  -0.55   8.40     7.74
2nphT1 ASP   7 HA    -0.15   0.20   0.97  -0.75   4.63     4.89
2nphT1 ASP   7 HB2   -0.27   0.05  -0.08  -0.04   2.71     2.37
2nphT1 ASP   7 HB3   -0.20  -0.00   0.13  -0.04   2.70     2.58
2nphT1 GLY   8 H     -0.05   0.24   0.03  -0.55   8.43     8.10
2nphT1 GLY   8 HA2   -0.04   0.06   0.44  -0.51   4.01     3.96
2nphT1 GLY   8 HA3   -0.03   0.05   0.36  -0.51   4.01     3.88
2nphT1 ALA   9 H     -0.04   0.51   0.18  -0.55   8.40     8.51
2nphT1 ALA   9 HA    -0.01   0.16   0.47  -0.75   4.34     4.21
2nphT1 ALA   9 HB3    0.00   0.02  -0.10  -0.04   1.41     1.29