=============================================================================
          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  1     1.040   -40.601  62.313  24.149  -99.200  -91.000
      TRP6  1     1.020   -38.947  64.006  24.220  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
2nyqB1 TRP 294 HA     0.00   0.00   0.00  -0.75   4.62     3.87
2nyqB1 TRP 294 HB2    0.00   0.00   0.00  -0.04   3.23     3.19
2nyqB1 TRP 294 HB3    0.00   0.00   0.00  -0.04   3.23     3.19
2nyqB1 TRP 294 HD1    0.00   0.00   0.00  -0.04   7.22     7.18
2nyqB1 TRP 294 HE1    0.00   0.00   0.00  -0.04  10.20    10.16
2nyqB1 TRP 294 HE3    0.00   0.00   0.00  -0.04   7.59     7.55
2nyqB1 TRP 294 HZ2    0.00   0.00   0.00  -0.04   7.44     7.40
2nyqB1 TRP 294 HZ3    0.00   0.00   0.00  -0.04   7.13     7.09
2nyqB1 TRP 294 HH2    0.00   0.00   0.00  -0.04   7.19     7.15