=============================================================================
          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.
       TYR  1     0.840     0.951 -33.538   6.863  -99.200  -91.000
       PHE  3     1.000    -1.510 -38.895  12.152  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
3gcnB1 TYR 408 HA     0.07  -0.06   0.18  -0.75   4.56     3.99
3gcnB1 TYR 408 HB2    0.15  -0.01  -0.01  -0.04   3.06     3.15
3gcnB1 TYR 408 HB3    0.22  -0.06  -0.05  -0.04   2.98     3.05
3gcnB1 TYR 408 HD2    0.05  -0.01   0.01  -0.04   7.15     7.17
3gcnB1 TYR 408 HE2    0.02   0.01   0.00  -0.04   6.85     6.83
3gcnB1 GLN 409 H      0.22   0.14  -0.06  -0.55   8.47     8.23
3gcnB1 GLN 409 HA     0.02   0.12   0.67  -0.75   4.36     4.41
3gcnB1 GLN 409 HB2    0.05  -0.02   0.10  -0.04   2.15     2.24
3gcnB1 GLN 409 HB3    0.02  -0.02   0.08  -0.04   2.02     2.05
3gcnB1 GLN 409 HG2    0.01   0.07   0.06  -0.04   2.40     2.49
3gcnB1 GLN 409 HG3    0.03   0.05  -0.40  -0.04   2.39     2.02
3gcnB1 GLN 409 HE21  -0.00  -0.03  -0.02  -0.04   6.97     6.88
3gcnB1 GLN 409 HE22  -0.00   0.05  -0.04  -0.04   7.69     7.66
3gcnB1 PHE 410 H     -0.18   0.17  -0.07  -0.55   8.34     7.71
3gcnB1 PHE 410 HA     0.03   0.27   0.78  -0.75   4.62     4.94
3gcnB1 PHE 410 HB2    0.02   0.03   0.05  -0.04   3.15     3.21
3gcnB1 PHE 410 HB3    0.04   0.00  -0.09  -0.04   3.06     2.97
3gcnB1 PHE 410 HD2    0.02  -0.02  -0.04  -0.04   7.28     7.20
3gcnB1 PHE 410 HE2   -0.02   0.02  -0.02  -0.04   7.38     7.32
3gcnB1 PHE 410 HZ    -0.03   0.01  -0.01  -0.04   7.32     7.25