=============================================================================
          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.
       TRP  2     1.040    52.072  13.002  -1.758  -99.200  -91.000
      TRP6  2     1.020    52.305  10.785  -1.154  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
1tmnI1 LEU   2 HA     0.11  -0.04   0.20  -0.75   4.35     3.86
1tmnI1 LEU   2 HB2    0.12  -0.01   0.03  -0.04   1.64     1.74
1tmnI1 LEU   2 HB3    0.32  -0.05  -0.02  -0.04   1.64     1.84
1tmnI1 LEU   2 HG     0.13  -0.00  -0.22  -0.04   1.64     1.51
1tmnI1 LEU   2 HD13   0.06  -0.00   0.04  -0.04   0.93     0.98
1tmnI1 LEU   2 HD23  -0.01  -0.01  -0.04  -0.04   0.89     0.80
1tmnI1 TRP   3 H      0.31   0.25   0.00  -0.55   7.97     7.99
1tmnI1 TRP   3 HA     0.00   0.17   0.40  -0.75   4.62     4.44
1tmnI1 TRP   3 HB2    0.00  -0.00   0.06  -0.04   3.23     3.25
1tmnI1 TRP   3 HB3    0.00   0.08  -0.18  -0.04   3.23     3.09
1tmnI1 TRP   3 HD1    0.00  -0.01  -0.01  -0.04   7.22     7.16
1tmnI1 TRP   3 HE1    0.00   0.00   0.00  -0.04  10.20    10.16
1tmnI1 TRP   3 HE3    0.00   0.01   0.00  -0.04   7.59     7.56
1tmnI1 TRP   3 HZ2    0.00  -0.00   0.00  -0.04   7.44     7.40
1tmnI1 TRP   3 HZ3    0.00  -0.01   0.00  -0.04   7.13     7.08
1tmnI1 TRP   3 HH2    0.00  -0.01   0.00  -0.04   7.19     7.14