=============================================================================
          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    24.610 -23.389  86.953  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1mcsP1 GLN   1 HA    -0.05  -0.05   0.06  -0.75   4.36     3.56
1mcsP1 GLN   1 HB2    0.01   0.06   0.04  -0.04   2.15     2.22
1mcsP1 GLN   1 HB3   -0.13  -0.01  -0.16  -0.04   2.02     1.68
1mcsP1 GLN   1 HG2    0.06  -0.03  -0.01  -0.04   2.40     2.38
1mcsP1 GLN   1 HG3    0.04  -0.02   0.01  -0.04   2.39     2.38
1mcsP1 GLN   1 HE21   0.06  -0.02  -0.01  -0.04   6.97     6.97
1mcsP1 GLN   1 HE22   0.05  -0.01   0.00  -0.04   7.69     7.69
1mcsP1 HIS   3 HA     0.00   0.00   0.08  -0.75   4.63     3.95
1mcsP1 HIS   3 HB2    0.00   0.01   0.01  -0.04   3.26     3.24
1mcsP1 HIS   3 HB3    0.00  -0.01   0.00  -0.04   3.20     3.15
1mcsP1 HIS   3 HD2    0.00  -0.01   0.00  -0.04   6.97     6.92
1mcsP1 HIS   3 HE1    0.00   0.01  -0.09  -0.04   7.75     7.62