=============================================================================
          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    30.348  13.977  -9.289  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1vwaM1 SER   2 HA     0.03  -0.07   0.18  -0.75   4.49     3.88
1vwaM1 SER   2 HB2    0.00   0.03  -0.07  -0.04   3.95     3.87
1vwaM1 SER   2 HB3    0.01  -0.03   0.04  -0.04   3.93     3.91
1vwaM1 HIS   3 H      0.08   0.21   0.14  -0.55   8.41     8.29
1vwaM1 HIS   3 HA     0.00   0.27   0.85  -0.75   4.63     4.99
1vwaM1 HIS   3 HB2    0.00   0.07  -0.02  -0.04   3.26     3.27
1vwaM1 HIS   3 HB3    0.00  -0.08   0.11  -0.04   3.20     3.19
1vwaM1 HIS   3 HD2    0.00   0.06   0.07  -0.04   6.97     7.06
1vwaM1 HIS   3 HE1    0.00   0.03  -0.02  -0.04   7.75     7.72
1vwaM1 PRO   4 HA    -0.06   0.17   0.47  -0.51   4.44     4.50
1vwaM1 PRO   4 HB2   -0.10   0.03   0.04  -0.04   2.28     2.21
1vwaM1 PRO   4 HB3   -0.11   0.02   0.08  -0.04   2.02     1.97
1vwaM1 PRO   4 HG2   -0.47   0.01   0.03  -0.04   2.03     1.55
1vwaM1 PRO   4 HG3   -0.24   0.04   0.05  -0.04   2.03     1.84
1vwaM1 PRO   4 HD2   -0.92   0.12   0.23  -0.04   3.68     3.07
1vwaM1 PRO   4 HD3   -0.26   0.17   0.04  -0.04   3.65     3.56
1vwaM1 GLN   5 H      0.49   0.01  -0.48  -0.55   8.47     7.94
1vwaM1 GLN   5 HE21  -0.01  -0.01  -0.02  -0.04   6.97     6.88
1vwaM1 GLN   5 HE22   0.00  -0.00  -0.04  -0.04   7.69     7.61
1vwaM1 GLN   5 HA     0.10   0.06   0.50  -0.75   4.36     4.26
1vwaM1 GLN   5 HB2    0.19  -0.03   0.07  -0.04   2.15     2.35
1vwaM1 GLN   5 HB3    0.17  -0.02   0.07  -0.04   2.02     2.20
1vwaM1 GLN   5 HG2    0.04   0.00  -0.24  -0.04   2.40     2.16
1vwaM1 GLN   5 HG3    0.05   0.01   0.03  -0.04   2.39     2.43
1vwaM1 ASN   6 H      0.10   0.26  -0.06  -0.55   8.53     8.29
1vwaM1 ASN   6 HD21   0.01   0.00  -0.07  -0.04   7.03     6.93
1vwaM1 ASN   6 HD22   0.02  -0.02  -0.08  -0.04   7.74     7.62
1vwaM1 ASN   6 HA     0.03   0.21   0.82  -0.75   4.76     5.07
1vwaM1 ASN   6 HB2    0.04  -0.02  -0.01  -0.04   2.88     2.85
1vwaM1 ASN   6 HB3    0.02  -0.05   0.12  -0.04   2.79     2.84
1vwaM1 THR   7 H      0.02   0.17   0.05  -0.55   8.28     7.96
1vwaM1 THR   7 HA     0.01   0.24   0.58  -0.75   4.39     4.46
1vwaM1 THR   7 HB     0.01   0.04  -0.06  -0.04   4.32     4.27
1vwaM1 THR   7 HG23   0.01   0.00   0.05  -0.04   1.22     1.24