=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 2 rings
        ring        int.           center             anis.    iso.
       HIS  2     0.900     7.754  36.394   3.336  -99.200  -91.000
       HIS  3     0.900     7.655  29.873   0.041  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
2awuC1 ALA   5 HA    -0.05  -0.03   0.15  -0.75   4.34     3.65
2awuC1 ALA   5 HB3    0.01  -0.02   0.04  -0.04   1.41     1.40
2awuC1 HIS   6 H     -0.26   0.30   0.13  -0.55   8.41     8.04
2awuC1 HIS   6 HA    -0.12   0.13   0.65  -0.75   4.63     4.55
2awuC1 HIS   6 HB2    0.00  -0.08   0.12  -0.04   3.26     3.26
2awuC1 HIS   6 HB3   -0.03   0.05  -0.19  -0.04   3.20     2.99
2awuC1 HIS   6 HD2   -0.02   0.02  -0.05  -0.04   6.97     6.87
2awuC1 HIS   6 HE1   -0.00   0.01  -0.08  -0.04   7.75     7.64
2awuC1 HIS   7 H      0.28   0.13   0.05  -0.55   8.41     8.32
2awuC1 HIS   7 HA    -0.01   0.27   0.72  -0.75   4.63     4.86
2awuC1 HIS   7 HB2    0.05   0.00   0.07  -0.04   3.26     3.35
2awuC1 HIS   7 HB3    0.03   0.03   0.05  -0.04   3.20     3.26
2awuC1 HIS   7 HD2    0.04   0.00  -0.04  -0.04   6.97     6.93
2awuC1 HIS   7 HE1   -0.00   0.00  -0.07  -0.04   7.75     7.63