=============================================================================
          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
=============================================================================
2r9qX1 SER 1000 HA     0.00  -0.05   0.13  -0.75   4.49     3.82
2r9qX1 SER 1000 HB2    0.00  -0.02   0.03  -0.04   3.95     3.92
2r9qX1 SER 1000 HB3    0.00  -0.04  -0.01  -0.04   3.93     3.84
2r9qX1 ASN 1001 H      0.00   0.11   0.09  -0.55   8.53     8.19
2r9qX1 ASN 1001 HA     0.00   0.14   0.73  -0.75   4.76     4.88
2r9qX1 ASN 1001 HB2    0.00  -0.01   0.14  -0.04   2.88     2.96
2r9qX1 ASN 1001 HB3    0.00  -0.07   0.11  -0.04   2.79     2.79
2r9qX1 ASN 1001 HD21   0.00  -0.04  -0.01  -0.04   7.03     6.94
2r9qX1 ASN 1001 HD22   0.00  -0.05   0.03  -0.04   7.74     7.68
2r9qX1 PRO 1002 HA     0.00   0.10   0.51  -0.51   4.44     4.55
2r9qX1 PRO 1002 HB2    0.00   0.17  -0.02  -0.04   2.28     2.38
2r9qX1 PRO 1002 HB3    0.00  -0.03   0.11  -0.04   2.02     2.06
2r9qX1 PRO 1002 HG2    0.00   0.01   0.02  -0.04   2.03     2.02
2r9qX1 PRO 1002 HG3    0.00   0.05  -0.02  -0.04   2.03     2.02
2r9qX1 PRO 1002 HD2    0.00   0.07   0.09  -0.04   3.68     3.80
2r9qX1 PRO 1002 HD3    0.00   0.17   0.16  -0.04   3.65     3.94
2r9qX1 ALA 1003 H      0.00   0.08   0.13  -0.55   8.40     8.06
2r9qX1 ALA 1003 HA     0.00   0.07   0.54  -0.75   4.34     4.20
2r9qX1 ALA 1003 HB3    0.00  -0.01   0.09  -0.04   1.41     1.45
2r9qX1 CYS 1004 H      0.00   0.08   0.03  -0.55   8.50     8.07
2r9qX1 CYS 1004 HA     0.00  -0.02   0.34  -0.75   4.58     4.15
2r9qX1 CYS 1004 HB2    0.00   0.03   0.11  -0.04   2.97     3.07
2r9qX1 CYS 1004 HB3    0.00   0.03  -0.08  -0.04   2.97     2.88
2r9qX1 VAL 1005 H      0.00   0.12   0.15  -0.55   8.24     7.96
2r9qX1 VAL 1005 HA     0.00   0.20   0.69  -0.75   4.13     4.26
2r9qX1 VAL 1005 HB     0.00  -0.07   0.15  -0.04   2.12     2.15
2r9qX1 VAL 1005 HG13   0.00   0.00  -0.13  -0.04   0.97     0.80
2r9qX1 VAL 1005 HG23   0.00   0.02  -0.06  -0.04   0.95     0.86
2r9qX1 ALA 1006 H      0.00   0.23   0.09  -0.55   8.40     8.18
2r9qX1 ALA 1006 HA     0.00   0.22   0.69  -0.75   4.34     4.50
2r9qX1 ALA 1006 HB3    0.00   0.02   0.02  -0.04   1.41     1.42