=============================================================================
          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    52.073  13.274  -1.673  -99.200  -91.000
      TRP6  2     1.020    51.437  11.055  -2.185  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
3tmnI1 VAL   1 HA     0.05  -0.04   0.15  -0.75   4.13     3.54
3tmnI1 VAL   1 HB     0.08  -0.01   0.05  -0.04   2.12     2.19
3tmnI1 VAL   1 HG13   0.27  -0.01  -0.08  -0.04   0.97     1.11
3tmnI1 VAL   1 HG23   0.09  -0.01   0.04  -0.04   0.95     1.04
3tmnI1 TRP   2 H     -0.20   0.34   0.00  -0.55   7.97     7.56
3tmnI1 TRP   2 HA     0.00   0.18   0.47  -0.75   4.62     4.52
3tmnI1 TRP   2 HB2    0.00  -0.01   0.07  -0.04   3.23     3.24
3tmnI1 TRP   2 HB3    0.00   0.08  -0.17  -0.04   3.23     3.10
3tmnI1 TRP   2 HD1    0.00  -0.00  -0.13  -0.04   7.22     7.05
3tmnI1 TRP   2 HE1    0.00  -0.00  -0.01  -0.04  10.20    10.15
3tmnI1 TRP   2 HE3    0.00   0.01   0.02  -0.04   7.59     7.58
3tmnI1 TRP   2 HZ2    0.00  -0.01   0.00  -0.04   7.44     7.39
3tmnI1 TRP   2 HZ3    0.00  -0.01   0.01  -0.04   7.13     7.09
3tmnI1 TRP   2 HH2    0.00  -0.01   0.00  -0.04   7.19     7.14