=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 0 rings

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
2cioB1 GLY  78 HA2    0.00  -0.05   0.13  -0.51   4.01     3.59
2cioB1 GLY  78 HA3    0.00  -0.13   0.18  -0.51   4.01     3.55
2cioB1 GLY  79 H      0.00  -0.05   0.03  -0.55   8.43     7.87
2cioB1 GLY  79 HA2    0.00  -0.07   0.29  -0.51   4.01     3.72
2cioB1 GLY  79 HA3    0.00   0.07   0.38  -0.51   4.01     3.95
2cioB1 LEU  95 HA     0.00  -0.10   0.25  -0.75   4.35     3.74
2cioB1 LEU  95 HB2    0.00  -0.05   0.09  -0.04   1.64     1.64
2cioB1 LEU  95 HB3    0.00   0.00  -0.07  -0.04   1.64     1.53
2cioB1 LEU  95 HG     0.00  -0.07   0.03  -0.04   1.64     1.56
2cioB1 LEU  95 HD13   0.00   0.04   0.02  -0.04   0.93     0.95
2cioB1 LEU  95 HD23   0.00  -0.03   0.07  -0.04   0.89     0.89
2cioB1 SER  96 H      0.00   0.04   0.11  -0.55   8.46     8.06
2cioB1 SER  96 HA     0.00   0.11   0.82  -0.75   4.49     4.66
2cioB1 SER  96 HB2    0.00   0.05  -0.01  -0.04   3.95     3.95
2cioB1 SER  96 HB3    0.00  -0.05   0.11  -0.04   3.93     3.95
2cioB1 LEU  97 H      0.00   0.02   0.04  -0.55   8.37     7.89
2cioB1 LEU  97 HA     0.00   0.02   0.36  -0.75   4.35     3.97
2cioB1 LEU  97 HB2    0.00  -0.05   0.05  -0.04   1.64     1.60
2cioB1 LEU  97 HB3    0.00  -0.03   0.09  -0.04   1.64     1.67
2cioB1 LEU  97 HG     0.00   0.03   0.03  -0.04   1.64     1.66
2cioB1 LEU  97 HD13   0.00  -0.01   0.02  -0.04   0.93     0.90
2cioB1 LEU  97 HD23   0.00  -0.03   0.02  -0.04   0.89     0.84