=============================================================================
          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  2     0.840    -2.130  -9.465   1.733  -99.200  -91.000
       PHE  3     1.000    -3.912  -7.839  -4.083  -99.200  -91.000

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
2q8yB1 GLN 215 HA    -0.13   0.02   0.20  -0.75   4.36     3.70
2q8yB1 GLN 215 HB2   -0.21  -0.01   0.05  -0.04   2.15     1.95
2q8yB1 GLN 215 HB3   -0.55  -0.06   0.05  -0.04   2.02     1.42
2q8yB1 GLN 215 HG2   -0.45   0.04  -0.16  -0.04   2.40     1.79
2q8yB1 GLN 215 HG3   -0.22   0.00   0.00  -0.04   2.39     2.14
2q8yB1 GLN 215 HE21  -0.19  -0.01  -0.02  -0.04   6.97     6.70
2q8yB1 GLN 215 HE22  -0.23   0.02  -0.04  -0.04   7.69     7.40
2q8yB1 TYR 216 H     -0.26   0.14   0.11  -0.55   8.29     7.73
2q8yB1 TYR 216 HA    -0.26   0.20   0.62  -0.75   4.56     4.37
2q8yB1 TYR 216 HB2   -1.39  -0.02   0.08  -0.04   3.06     1.69
2q8yB1 TYR 216 HB3   -0.71   0.01   0.10  -0.04   2.98     2.34
2q8yB1 TYR 216 HD2   -0.16   0.04   0.00  -0.04   7.15     6.98
2q8yB1 TYR 216 HE2   -0.05  -0.01  -0.02  -0.04   6.85     6.74
2q8yB1 PHE 217 H      0.04   0.12  -0.12  -0.55   8.34     7.83
2q8yB1 PHE 217 HA     0.06   0.26   0.73  -0.75   4.62     4.92
2q8yB1 PHE 217 HB2    0.04   0.01   0.01  -0.04   3.15     3.17
2q8yB1 PHE 217 HB3    0.04   0.01   0.12  -0.04   3.06     3.19
2q8yB1 PHE 217 HD2    0.05   0.06  -0.02  -0.04   7.28     7.33
2q8yB1 PHE 217 HE2    0.08   0.01  -0.01  -0.04   7.38     7.42
2q8yB1 PHE 217 HZ     0.09  -0.00  -0.01  -0.04   7.32     7.35
2q8yB1 MET 218 H      0.05   0.14  -0.28  -0.55   8.47     7.83
2q8yB1 MET 218 HA     0.07   0.10   0.39  -0.75   4.52     4.33
2q8yB1 MET 218 HB2    0.02   0.08  -0.13  -0.04   2.15     2.07
2q8yB1 MET 218 HB3    0.02   0.07  -0.10  -0.04   2.03     1.99
2q8yB1 MET 218 HG2    0.05  -0.02  -0.08  -0.04   2.63     2.54
2q8yB1 MET 218 HG3    0.05  -0.10  -0.12  -0.04   2.56     2.35
2q8yB1 MET 218 HE3   -0.03   0.02  -0.03  -0.04   2.10     2.02
2q8yB1 GLU 220 HA     0.01  -0.04   0.14  -0.75   4.29     3.65
2q8yB1 GLU 220 HB2    0.01  -0.07  -0.04  -0.04   2.09     1.95
2q8yB1 GLU 220 HB3    0.01   0.06  -0.11  -0.04   1.99     1.90
2q8yB1 GLU 220 HG2    0.00  -0.01  -0.02  -0.04   2.34     2.27
2q8yB1 GLU 220 HG3    0.00   0.03   0.05  -0.04   2.34     2.38
2q8yB1 ALA 223 H     -0.00   0.02   0.02  -0.55   8.40     7.89
2q8yB1 ALA 223 HA     0.00   0.17   0.26  -0.75   4.34     4.02
2q8yB1 ALA 223 HB3   -0.00  -0.00   0.08  -0.04   1.41     1.45