=============================================================================
          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    26.492  61.042 -34.970  -99.200  -91.000
       PHE  3     1.000    30.975  66.883 -36.313  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
3gduE1 TYR 408 HA     0.07  -0.03   0.14  -0.75   4.56     3.98
3gduE1 TYR 408 HB2    0.24  -0.01  -0.04  -0.04   3.06     3.21
3gduE1 TYR 408 HB3    0.22  -0.12   0.02  -0.04   2.98     3.06
3gduE1 TYR 408 HD2    0.06  -0.01   0.01  -0.04   7.15     7.17
3gduE1 TYR 408 HE2    0.01   0.00   0.00  -0.04   6.85     6.83
3gduE1 ARG 409 H      0.32   0.10  -0.07  -0.55   8.46     8.26
3gduE1 ARG 409 HA     0.02   0.13   0.59  -0.75   4.34     4.33
3gduE1 ARG 409 HB2    0.07  -0.06   0.05  -0.04   1.90     1.92
3gduE1 ARG 409 HB3    0.03  -0.01   0.08  -0.04   1.80     1.86
3gduE1 ARG 409 HG2    0.00   0.01   0.09  -0.04   1.67     1.72
3gduE1 ARG 409 HG3    0.04   0.21  -0.39  -0.04   1.67     1.49
3gduE1 ARG 409 HD2    0.02  -0.04  -0.06  -0.04   3.22     3.10
3gduE1 ARG 409 HD3    0.01  -0.03  -0.01  -0.04   3.22     3.14
3gduE1 PHE 410 H     -0.30   0.17  -0.05  -0.55   8.34     7.62
3gduE1 PHE 410 HA     0.02   0.27   0.78  -0.75   4.62     4.94
3gduE1 PHE 410 HB2   -0.00   0.03   0.05  -0.04   3.15     3.19
3gduE1 PHE 410 HB3    0.01   0.01  -0.10  -0.04   3.06     2.94
3gduE1 PHE 410 HD2    0.02  -0.04  -0.05  -0.04   7.28     7.17
3gduE1 PHE 410 HE2    0.00   0.03  -0.03  -0.04   7.38     7.34
3gduE1 PHE 410 HZ    -0.01   0.01  -0.01  -0.04   7.32     7.27