=============================================================================
          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  4     1.000     3.833  34.345  32.515  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
2jamE1 VAL  14 HA     0.03  -0.08   0.18  -0.75   4.13     3.50
2jamE1 VAL  14 HB     0.03   0.06  -0.10  -0.04   2.12     2.07
2jamE1 VAL  14 HG13   0.01  -0.01   0.02  -0.04   0.97     0.95
2jamE1 VAL  14 HG23   0.02  -0.02  -0.10  -0.04   0.95     0.81
2jamE1 SER  15 H      0.07   0.09   0.07  -0.55   8.46     8.14
2jamE1 SER  15 HA     0.05   0.12   0.78  -0.75   4.49     4.69
2jamE1 SER  15 HB2    0.04   0.01   0.05  -0.04   3.95     4.01
2jamE1 SER  15 HB3    0.10  -0.04   0.10  -0.04   3.93     4.06
2jamE1 LYS  16 H      0.07   0.18   0.10  -0.55   8.42     8.21
2jamE1 LYS  16 HA     0.12   0.08   0.69  -0.75   4.32     4.46
2jamE1 LYS  16 HB2    0.05   0.03   0.06  -0.04   1.87     1.97
2jamE1 LYS  16 HB3    0.06  -0.02   0.11  -0.04   1.79     1.90
2jamE1 LYS  16 HG2    0.05  -0.03   0.03  -0.04   1.46     1.47
2jamE1 LYS  16 HG3    0.03  -0.02  -0.01  -0.04   1.46     1.42
2jamE1 PHE  17 H      0.37   0.14   0.05  -0.55   8.34     8.35
2jamE1 PHE  17 HA     0.00   0.12   0.27  -0.75   4.62     4.26
2jamE1 PHE  17 HB2    0.00  -0.00   0.09  -0.04   3.15     3.20
2jamE1 PHE  17 HB3    0.00   0.02   0.06  -0.04   3.06     3.10
2jamE1 PHE  17 HD2    0.00  -0.00  -0.06  -0.04   7.28     7.17
2jamE1 PHE  17 HE2    0.00   0.01  -0.01  -0.04   7.38     7.34
2jamE1 PHE  17 HZ     0.00  -0.01  -0.00  -0.04   7.32     7.27