=============================================================================
          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.
       PHE  3     1.000   102.112  22.933  20.618  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
2azcI1 ALA 201 HA    -0.32  -0.09   0.20  -0.75   4.34     3.38
2azcI1 ALA 201 HB3   -0.23  -0.01  -0.02  -0.04   1.41     1.12
2azcI1 VAL 202 H     -0.54   0.19   0.04  -0.55   8.24     7.38
2azcI1 VAL 202 HA    -0.16   0.15   0.75  -0.75   4.13     4.11
2azcI1 VAL 202 HB    -0.16  -0.03   0.10  -0.04   2.12     2.00
2azcI1 VAL 202 HG13  -0.06  -0.01  -0.09  -0.04   0.97     0.77
2azcI1 VAL 202 HG23  -0.09   0.02  -0.14  -0.04   0.95     0.71
2azcI1 PHE 203 H      0.03   0.35  -0.01  -0.55   8.34     8.16
2azcI1 PHE 203 HA     0.00   0.19   0.52  -0.75   4.62     4.58
2azcI1 PHE 203 HB2    0.00   0.02   0.01  -0.04   3.15     3.14
2azcI1 PHE 203 HB3    0.00   0.02   0.03  -0.04   3.06     3.07
2azcI1 PHE 203 HD2    0.00   0.03  -0.08  -0.04   7.28     7.19
2azcI1 PHE 203 HE2    0.00   0.02  -0.06  -0.04   7.38     7.30
2azcI1 PHE 203 HZ     0.00   0.01  -0.05  -0.04   7.32     7.24