=============================================================================
          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.
       TYR  1     0.840    18.203  36.320  23.721  -99.200  -91.000
       TYR  3     0.840     7.948  30.969  30.316  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1hqwB1 TYR 3001 HA     0.01  -0.02   0.12  -0.75   4.56     3.92
1hqwB1 TYR 3001 HB2    0.02  -0.05   0.14  -0.04   3.06     3.13
1hqwB1 TYR 3001 HB3    0.01   0.00   0.04  -0.04   2.98     2.99
1hqwB1 TYR 3001 HD2    0.01   0.00   0.03  -0.04   7.15     7.15
1hqwB1 TYR 3001 HE2    0.01  -0.01   0.01  -0.04   6.85     6.81
1hqwB1 PRO 3002 HA     0.07  -0.09   0.38  -0.51   4.44     4.29
1hqwB1 PRO 3002 HB2    0.07  -0.02   0.08  -0.04   2.28     2.37
1hqwB1 PRO 3002 HB3    0.03  -0.01   0.10  -0.04   2.02     2.10
1hqwB1 PRO 3002 HG2    0.07   0.04   0.10  -0.04   2.03     2.20
1hqwB1 PRO 3002 HG3    0.04  -0.01   0.08  -0.04   2.03     2.10
1hqwB1 PRO 3002 HD2    0.11   0.05   0.13  -0.04   3.68     3.93
1hqwB1 PRO 3002 HD3    0.03   0.12   0.15  -0.04   3.65     3.91
1hqwB1 TYR 3003 H      0.16   0.09   0.17  -0.55   8.29     8.16
1hqwB1 TYR 3003 HA     0.02   0.03   0.22  -0.75   4.56     4.08
1hqwB1 TYR 3003 HB2    0.01  -0.04  -0.11  -0.04   3.06     2.87
1hqwB1 TYR 3003 HB3    0.01   0.18   0.02  -0.04   2.98     3.15
1hqwB1 TYR 3003 HD2    0.01   0.01   0.03  -0.04   7.15     7.17
1hqwB1 TYR 3003 HE2    0.01  -0.01   0.01  -0.04   6.85     6.82