=============================================================================
          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     4.707 -24.203  -1.481  -99.200  -91.000
      TRP6  2     1.020     5.699 -24.680   0.609  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
2pc4H1 ASP 604 HA     0.07   0.06   0.11  -0.75   4.63     4.11
2pc4H1 ASP 604 HB2    0.03  -0.02   0.06  -0.04   2.71     2.75
2pc4H1 ASP 604 HB3    0.04  -0.01   0.04  -0.04   2.70     2.73
2pc4H1 TRP 605 H      0.27   0.22   0.02  -0.55   7.97     7.94
2pc4H1 TRP 605 HA     0.00   0.04   0.64  -0.75   4.62     4.55
2pc4H1 TRP 605 HB2    0.00   0.00   0.12  -0.04   3.23     3.31
2pc4H1 TRP 605 HB3    0.00  -0.00   0.22  -0.04   3.23     3.40
2pc4H1 TRP 605 HD1    0.00   0.01  -0.19  -0.04   7.22     7.00
2pc4H1 TRP 605 HE1    0.00  -0.01  -0.03  -0.04  10.20    10.11
2pc4H1 TRP 605 HE3    0.00   0.01   0.03  -0.04   7.59     7.59
2pc4H1 TRP 605 HZ2    0.00  -0.01  -0.01  -0.04   7.44     7.39
2pc4H1 TRP 605 HZ3    0.00  -0.00   0.01  -0.04   7.13     7.09
2pc4H1 TRP 605 HH2    0.00  -0.01   0.00  -0.04   7.19     7.14
2pc4H1 ASN 606 H      0.23   0.22   0.01  -0.55   8.53     8.44
2pc4H1 ASN 606 HA     0.10   0.05   0.10  -0.75   4.76     4.25
2pc4H1 ASN 606 HB2    0.07   0.13   0.08  -0.04   2.88     3.13
2pc4H1 ASN 606 HB3    0.04  -0.00   0.10  -0.04   2.79     2.88
2pc4H1 ASN 606 HD21   0.10  -0.01   0.00  -0.04   7.03     7.09
2pc4H1 ASN 606 HD22   0.18  -0.03   0.02  -0.04   7.74     7.86