=============================================================================
          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.
       HIS  2     0.900    25.422 -22.667  86.647  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1mccP1 GLN   1 HA    -0.09  -0.05   0.05  -0.75   4.36     3.52
1mccP1 GLN   1 HB2   -0.03  -0.04   0.01  -0.04   2.15     2.05
1mccP1 GLN   1 HB3   -0.01   0.04  -0.02  -0.04   2.02     1.99
1mccP1 GLN   1 HG2   -0.32   0.02   0.09  -0.04   2.40     2.16
1mccP1 GLN   1 HG3   -0.07  -0.04   0.03  -0.04   2.39     2.26
1mccP1 GLN   1 HE21   0.11  -0.02  -0.00  -0.04   6.97     7.02
1mccP1 GLN   1 HE22   0.04  -0.01  -0.00  -0.04   7.69     7.68
1mccP1 HIS   3 HA     0.00  -0.05   0.14  -0.75   4.63     3.96
1mccP1 HIS   3 HB2    0.00  -0.06   0.08  -0.04   3.26     3.25
1mccP1 HIS   3 HB3    0.00  -0.04   0.07  -0.04   3.20     3.19
1mccP1 HIS   3 HD2    0.00  -0.07  -0.29  -0.04   6.97     6.57
1mccP1 HIS   3 HE1    0.00  -0.06   0.03  -0.04   7.75     7.68