=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 4 rings
        ring        int.           center             anis.    iso.
       TYR  2     0.840    82.789 -35.279  18.015  -99.200  -91.000
       TRP  3     1.040    74.151 -36.231  18.206  -99.200  -91.000
      TRP6  3     1.020    73.079 -34.259  18.961  -99.200  -91.000
       PHE  4     1.000    80.575 -40.345  15.838  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
2r3yE1 VAL 407 HA    -0.00  -0.08   0.19  -0.75   4.13     3.48
2r3yE1 VAL 407 HB    -0.24  -0.02   0.08  -0.04   2.12     1.90
2r3yE1 VAL 407 HG13   0.05  -0.01  -0.18  -0.04   0.97     0.80
2r3yE1 VAL 407 HG23  -0.03   0.00   0.02  -0.04   0.95     0.90
2r3yE1 TYR 408 H      0.26   0.12   0.04  -0.55   8.29     8.16
2r3yE1 TYR 408 HA    -0.12   0.13   0.58  -0.75   4.56     4.40
2r3yE1 TYR 408 HB2   -0.02  -0.00   0.23  -0.04   3.06     3.23
2r3yE1 TYR 408 HB3    0.20  -0.04   0.09  -0.04   2.98     3.19
2r3yE1 TYR 408 HD2    0.19  -0.02   0.02  -0.04   7.15     7.30
2r3yE1 TYR 408 HE2    0.02   0.00  -0.01  -0.04   6.85     6.82
2r3yE1 TRP 409 H     -0.44   0.34   0.10  -0.55   7.97     7.42
2r3yE1 TRP 409 HA     0.13   0.14   0.53  -0.75   4.62     4.67
2r3yE1 TRP 409 HB2    0.04  -0.02   0.18  -0.04   3.23     3.39
2r3yE1 TRP 409 HB3    0.05   0.02   0.04  -0.04   3.23     3.30
2r3yE1 TRP 409 HD1   -0.03  -0.04  -0.09  -0.04   7.22     7.02
2r3yE1 TRP 409 HE1   -0.05  -0.02   0.01  -0.04  10.20    10.09
2r3yE1 TRP 409 HE3    0.02  -0.02   0.01  -0.04   7.59     7.55
2r3yE1 TRP 409 HZ2   -0.03  -0.02   0.02  -0.04   7.44     7.36
2r3yE1 TRP 409 HZ3   -0.00  -0.02   0.02  -0.04   7.13     7.08
2r3yE1 TRP 409 HH2   -0.02  -0.02   0.02  -0.04   7.19     7.13
2r3yE1 PHE 410 H      0.59   0.48  -0.44  -0.55   8.34     8.41
2r3yE1 PHE 410 HA     0.20   0.08   0.17  -0.75   4.62     4.31
2r3yE1 PHE 410 HB2    0.11   0.06   0.05  -0.04   3.15     3.34
2r3yE1 PHE 410 HB3    0.09   0.01   0.04  -0.04   3.06     3.16
2r3yE1 PHE 410 HD2    0.15  -0.04  -0.10  -0.04   7.28     7.25
2r3yE1 PHE 410 HE2    0.26  -0.00  -0.02  -0.04   7.38     7.57
2r3yE1 PHE 410 HZ     0.14  -0.00  -0.02  -0.04   7.32     7.40