NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage position program type
588965 2mmn cing 1-original 4 XPLOR/CNS chemical shift


REMARKS  file Trx_H_shift_red.tbl
REMARKS  
REMARKS  H-SHIFT-TABLE file from PfTrx - last update 12.03.14
REMARKS  just active site loop 27 to 33
REMARKS
REMARKS  Claudia Elisabeth Munte
!
!
!********** A27 **********
!
OBSE   (resid 27 and name HN  )   7.27
OBSE   (resid 27 and name HA  )   4.45
OBSE   (resid 27 and name HB* )   0.24
!
!********** E28  **********
!
OBSE   (resid 28 and name HN  )   9.63
OBSE   (resid 28 and name HA  )   4.09
OBSE   (resid 28 and name HB1 )   2.04
OBSE   (resid 28 and name HB2 )   2.13
OBSE   (resid 28 and name HG1 )   2.38
OBSE   (resid 28 and name HG2 )   2.38
!
!********** W29  **********
!
OBSE   (resid 29 and name HN  )   6.55
OBSE   (resid 29 and name HA  )   4.49
OBSE   (resid 29 and name HB1 )   3.15
OBSE   (resid 29 and name HB2 )   3.60
OBSE   (resid 29 and name HD1 )   7.36
OBSE   (resid 29 and name HE1 )  11.17
OBSE   (resid 29 and name HE3 )   7.41
OBSE   (resid 29 and name HH2 )   7.15
OBSE   (resid 29 and name HZ2 )   7.47
OBSE   (resid 29 and name HZ3 )   7.41
!
!********** C30  **********
!
OBSE   (resid 30 and name HN  )   6.55
OBSE   (resid 30 and name HA  )   4.38
OBSE   (resid 30 and name HB1 )   1.54
OBSE   (resid 30 and name HB2 )   2.48
!
!********** G31  **********
!
!OBSE   (resid 31 and name HN  )   
OBSE   (resid 31 and name HA1 )   3.90
OBSE   (resid 31 and name HA2 )   4.23
!
!********** P32  **********
!
OBSE   (resid 32 and name HA  )   4.23
OBSE   (resid 32 and name HB1 )   1.91
OBSE   (resid 32 and name HB2 )   2.47
OBSE   (resid 32 and name HG1 )   2.03
OBSE   (resid 32 and name HG2 )   2.23
OBSE   (resid 32 and name HD1 )   3.66
OBSE   (resid 32 and name HD2 )   4.86
!
!********** C33  **********
!
OBSE   (resid 33 and name HN  )   8.03
OBSE   (resid 33 and name HA  )   3.95
!OBSE   (resid 33 and name HB1 )   
!OBSE   (resid 33 and name HB2 ) 
!  
!********** K34  **********
!
OBSE   (resid 34 and name HN  )   7.81
OBSE   (resid 34 and name HA  )   4.02
OBSE   (resid 34 and name HB1 )   1.93
OBSE   (resid 34 and name HB2 )   2.04
OBSE   (resid 34 and name HG1 )   1.50
OBSE   (resid 34 and name HG2 )   1.56
OBSE   (resid 34 and name HD1 )   1.67
OBSE   (resid 34 and name HD2 )   1.76
OBSE   (resid 34 and name HE1 )   2.99
OBSE   (resid 34 and name HE2 )   2.99
!  
!********** R35  **********
!
OBSE   (resid 35 and name HN  )   8.14
OBSE   (resid 35 and name HA  )   4.08
OBSE   (resid 35 and name HB1 )   1.93
OBSE   (resid 35 and name HB2 )   1.99
OBSE   (resid 35 and name HG1 )   1.71
OBSE   (resid 35 and name HG2 )   1.79
OBSE   (resid 35 and name HD1 )   3.24
OBSE   (resid 35 and name HD2 )   3.26
!


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