=============================================================================
          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
=============================================================================
3itnB1 ASP 990 HA     0.00  -0.08   0.23  -0.75   4.63     4.02
3itnB1 ASP 990 HB2    0.00  -0.03   0.03  -0.04   2.71     2.67
3itnB1 ASP 990 HB3    0.00   0.01  -0.04  -0.04   2.70     2.63
3itnB1 GLU 991 H      0.00   0.18   0.15  -0.55   8.60     8.38
3itnB1 GLU 991 HA     0.00   0.17   0.78  -0.75   4.29     4.48
3itnB1 GLU 991 HB2    0.00  -0.02  -0.04  -0.04   2.09     2.00
3itnB1 GLU 991 HB3    0.00  -0.02   0.10  -0.04   1.99     2.03
3itnB1 GLU 991 HG2    0.00   0.13  -0.19  -0.04   2.34     2.23
3itnB1 GLU 991 HG3    0.00  -0.04  -0.32  -0.04   2.34     1.94
3itnB1 VAL 992 H      0.00   0.16   0.05  -0.55   8.24     7.89
3itnB1 VAL 992 HA     0.00   0.26   0.72  -0.75   4.13     4.36
3itnB1 VAL 992 HB     0.00   0.02   0.06  -0.04   2.12     2.16
3itnB1 VAL 992 HG13   0.00   0.01  -0.10  -0.04   0.97     0.84
3itnB1 VAL 992 HG23   0.00   0.00   0.06  -0.04   0.95     0.98