NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
1404 1ajy cing 1-original 6 XPLOR/CNS dihedral angle


!phi     
!  ALA  33
assign (resid  32 and name     C and segid a)
       (resid  33 and name     N and segid a)
       (resid  33 and name    CA and segid a)
       (resid  33 and name     C and segid a) 1.0 -100.0   80.0 2
!  ALA  33
assign (resid  32 and name     C and segid b)
       (resid  33 and name     N and segid b)
       (resid  33 and name    CA and segid b)
       (resid  33 and name     C and segid b) 1.0 -100.0   80.0 2
!  CYS  34
assign (resid  33 and name     C and segid a)
       (resid  34 and name     N and segid a)
       (resid  34 and name    CA and segid a)
       (resid  34 and name     C and segid a) 1.0  -55.0   35.0 2
!  CYS  34
assign (resid  33 and name     C and segid b)
       (resid  34 and name     N and segid b)
       (resid  34 and name    CA and segid b)
       (resid  34 and name     C and segid b) 1.0  -55.0   35.0 2
!  LEU  35
assign (resid  34 and name     C and segid a)
       (resid  35 and name     N and segid a)
       (resid  35 and name    CA and segid a)
       (resid  35 and name     C and segid a) 1.0  -55.0   35.0 2
!  LEU  35
assign (resid  34 and name     C and segid b)
       (resid  35 and name     N and segid b)
       (resid  35 and name    CA and segid b)
       (resid  35 and name     C and segid b) 1.0  -55.0   35.0 2
!  SER  36
assign (resid  35 and name     C and segid a)
       (resid  36 and name     N and segid a)
       (resid  36 and name    CA and segid a)
       (resid  36 and name     C and segid a) 1.0  -55.0   35.0 2
!  SER  36
assign (resid  35 and name     C and segid b)
       (resid  36 and name     N and segid b)
       (resid  36 and name    CA and segid b)
       (resid  36 and name     C and segid b) 1.0  -55.0   35.0 2
!  CYS  37
assign (resid  36 and name     C and segid a)
       (resid  37 and name     N and segid a)
       (resid  37 and name    CA and segid a)
       (resid  37 and name     C and segid a) 1.0  -55.0   35.0 2
!  CYS  37
assign (resid  36 and name     C and segid b)
       (resid  37 and name     N and segid b)
       (resid  37 and name    CA and segid b)
       (resid  37 and name     C and segid b) 1.0  -55.0   35.0 2
! ARG+  38
assign (resid  37 and name     C and segid a)
       (resid  38 and name     N and segid a)
       (resid  38 and name    CA and segid a)
       (resid  38 and name     C and segid a) 1.0  -55.0   35.0 2
! ARG+  38
assign (resid  37 and name     C and segid b)
       (resid  38 and name     N and segid b)
       (resid  38 and name    CA and segid b)
       (resid  38 and name     C and segid b) 1.0  -55.0   35.0 2
! LYS+  39
assign (resid  38 and name     C and segid a)
       (resid  39 and name     N and segid a)
       (resid  39 and name    CA and segid a)
       (resid  39 and name     C and segid a) 1.0  -55.0   35.0 2
! LYS+  39
assign (resid  38 and name     C and segid b)
       (resid  39 and name     N and segid b)
       (resid  39 and name    CA and segid b)
       (resid  39 and name     C and segid b) 1.0  -55.0   35.0 2
! ARG+  40
assign (resid  39 and name     C and segid a)
       (resid  40 and name     N and segid a)
       (resid  40 and name    CA and segid a)
       (resid  40 and name     C and segid a) 1.0 -120.0   60.0 2
! ARG+  40
assign (resid  39 and name     C and segid b)
       (resid  40 and name     N and segid b)
       (resid  40 and name    CA and segid b)
       (resid  40 and name     C and segid b) 1.0 -120.0   60.0 2
!  ILE  42
assign (resid  41 and name     C and segid a)
       (resid  42 and name     N and segid a)
       (resid  42 and name    CA and segid a)
       (resid  42 and name     C and segid a) 1.0 -120.0   40.0 2
!  ILE  42
assign (resid  41 and name     C and segid b)
       (resid  42 and name     N and segid b)
       (resid  42 and name    CA and segid b)
       (resid  42 and name     C and segid b) 1.0 -120.0   40.0 2
! LYS+  43
assign (resid  42 and name     C and segid a)
       (resid  43 and name     N and segid a)
       (resid  43 and name    CA and segid a)
       (resid  43 and name     C and segid a) 1.0 -100.0   80.0 2
! LYS+  43
assign (resid  42 and name     C and segid b)
       (resid  43 and name     N and segid b)
       (resid  43 and name    CA and segid b)
       (resid  43 and name     C and segid b) 1.0 -100.0   80.0 2
!  CYS  44
assign (resid  43 and name     C and segid a)
       (resid  44 and name     N and segid a)
       (resid  44 and name    CA and segid a)
       (resid  44 and name     C and segid a) 1.0  -55.0   35.0 2
!  CYS  44
assign (resid  43 and name     C and segid b)
       (resid  44 and name     N and segid b)
       (resid  44 and name    CA and segid b)
       (resid  44 and name     C and segid b) 1.0  -55.0   35.0 2
!  ASN  48
assign (resid  47 and name     C and segid a)
       (resid  48 and name     N and segid a)
       (resid  48 and name    CA and segid a)
       (resid  48 and name     C and segid a) 1.0 -100.0   80.0 2
!  ASN  48
assign (resid  47 and name     C and segid b)
       (resid  48 and name     N and segid b)
       (resid  48 and name    CA and segid b)
       (resid  48 and name     C and segid b) 1.0 -100.0   80.0 2
!  CYS  50
assign (resid  49 and name     C and segid a)
       (resid  50 and name     N and segid a)
       (resid  50 and name    CA and segid a)
       (resid  50 and name     C and segid a) 1.0  -55.0   35.0 2
!  CYS  50
assign (resid  49 and name     C and segid b)
       (resid  50 and name     N and segid b)
       (resid  50 and name    CA and segid b)
       (resid  50 and name     C and segid b) 1.0  -55.0   35.0 2
!  GLN  51
assign (resid  50 and name     C and segid a)
       (resid  51 and name     N and segid a)
       (resid  51 and name    CA and segid a)
       (resid  51 and name     C and segid a) 1.0 -100.0   80.0 2
!  GLN  51
assign (resid  50 and name     C and segid b)
       (resid  51 and name     N and segid b)
       (resid  51 and name    CA and segid b)
       (resid  51 and name     C and segid b) 1.0 -100.0   80.0 2
!  VAL  54
assign (resid  53 and name     C and segid a)
       (resid  54 and name     N and segid a)
       (resid  54 and name    CA and segid a)
       (resid  54 and name     C and segid a) 1.0  -55.0   35.0 2
!  VAL  54
assign (resid  53 and name     C and segid b)
       (resid  54 and name     N and segid b)
       (resid  54 and name    CA and segid b)
       (resid  54 and name     C and segid b) 1.0  -55.0   35.0 2
!  THR  55
assign (resid  54 and name     C and segid a)
       (resid  55 and name     N and segid a)
       (resid  55 and name    CA and segid a)
       (resid  55 and name     C and segid a) 1.0  -55.0   35.0 2
!  THR  55
assign (resid  54 and name     C and segid b)
       (resid  55 and name     N and segid b)
       (resid  55 and name    CA and segid b)
       (resid  55 and name     C and segid b) 1.0  -55.0   35.0 2
!  SER  56
assign (resid  55 and name     C and segid a)
       (resid  56 and name     N and segid a)
       (resid  56 and name    CA and segid a)
       (resid  56 and name     C and segid a) 1.0 -120.0   50.0 2
!  SER  56
assign (resid  55 and name     C and segid b)
       (resid  56 and name     N and segid b)
       (resid  56 and name    CA and segid b)
       (resid  56 and name     C and segid b) 1.0 -120.0   50.0 2
!  ALA  58
assign (resid  57 and name     C and segid a)
       (resid  58 and name     N and segid a)
       (resid  58 and name    CA and segid a)
       (resid  58 and name     C and segid a) 1.0 -100.0   80.0 2
!  ALA  58
assign (resid  57 and name     C and segid b)
       (resid  58 and name     N and segid b)
       (resid  58 and name    CA and segid b)
       (resid  58 and name     C and segid b) 1.0 -100.0   80.0 2
!  ILE  59
assign (resid  58 and name     C and segid a)
       (resid  59 and name     N and segid a)
       (resid  59 and name    CA and segid a)
       (resid  59 and name     C and segid a) 1.0 -100.0   80.0 2
!  ILE  59
assign (resid  58 and name     C and segid b)
       (resid  59 and name     N and segid b)
       (resid  59 and name    CA and segid b)
       (resid  59 and name     C and segid b) 1.0 -100.0   80.0 2
!  CYS  60
assign (resid  59 and name     C and segid a)
       (resid  60 and name     N and segid a)
       (resid  60 and name    CA and segid a)
       (resid  60 and name     C and segid a) 1.0 -120.0   60.0 2
!  CYS  60
assign (resid  59 and name     C and segid b)
       (resid  60 and name     N and segid b)
       (resid  60 and name    CA and segid b)
       (resid  60 and name     C and segid b) 1.0 -120.0   60.0 2
! GLU-  61
assign (resid  60 and name     C and segid a)
       (resid  61 and name     N and segid a)
       (resid  61 and name    CA and segid a)
       (resid  61 and name     C and segid a) 1.0 -120.0   40.0 2
! GLU-  61
assign (resid  60 and name     C and segid b)
       (resid  61 and name     N and segid b)
       (resid  61 and name    CA and segid b)
       (resid  61 and name     C and segid b) 1.0 -120.0   40.0 2
!  TYR  62
assign (resid  61 and name     C and segid a)
       (resid  62 and name     N and segid a)
       (resid  62 and name    CA and segid a)
       (resid  62 and name     C and segid a) 1.0 -120.0   60.0 2
!  TYR  62
assign (resid  61 and name     C and segid b)
       (resid  62 and name     N and segid b)
       (resid  62 and name    CA and segid b)
       (resid  62 and name     C and segid b) 1.0 -120.0   60.0 2
!  LEU  63
assign (resid  62 and name     C and segid a)
       (resid  63 and name     N and segid a)
       (resid  63 and name    CA and segid a)
       (resid  63 and name     C and segid a) 1.0 -100.0   80.0 2
!  LEU  63
assign (resid  62 and name     C and segid b)
       (resid  63 and name     N and segid b)
       (resid  63 and name    CA and segid b)
       (resid  63 and name     C and segid b) 1.0 -100.0   80.0 2
! GLU-  64
assign (resid  63 and name     C and segid a)
       (resid  64 and name     N and segid a)
       (resid  64 and name    CA and segid a)
       (resid  64 and name     C and segid a) 1.0 -100.0   80.0 2
! GLU-  64
assign (resid  63 and name     C and segid b)
       (resid  64 and name     N and segid b)
       (resid  64 and name    CA and segid b)
       (resid  64 and name     C and segid b) 1.0 -100.0   80.0 2
!  ILE  69
assign (resid  68 and name     C and segid a)
       (resid  69 and name     N and segid a)
       (resid  69 and name    CA and segid a)
       (resid  69 and name     C and segid a) 1.0 -100.0   80.0 2
!  ILE  69
assign (resid  68 and name     C and segid b)
       (resid  69 and name     N and segid b)
       (resid  69 and name    CA and segid b)
       (resid  69 and name     C and segid b) 1.0 -100.0   80.0 2
!  VAL  70
assign (resid  69 and name     C and segid a)
       (resid  70 and name     N and segid a)
       (resid  70 and name    CA and segid a)
       (resid  70 and name     C and segid a) 1.0 -100.0   80.0 2
!  VAL  70
assign (resid  69 and name     C and segid b)
       (resid  70 and name     N and segid b)
       (resid  70 and name    CA and segid b)
       (resid  70 and name     C and segid b) 1.0 -100.0   80.0 2
! GLU-  99
assign (resid  98 and name     C and segid a)
       (resid  99 and name     N and segid a)
       (resid  99 and name    CA and segid a)
       (resid  99 and name     C and segid a) 1.0 -120.0   60.0 2
! GLU-  99
assign (resid  98 and name     C and segid b)
       (resid  99 and name     N and segid b)
       (resid  99 and name    CA and segid b)
       (resid  99 and name     C and segid b) 1.0 -120.0   60.0 2
! ARG+ 100
assign (resid  99 and name     C and segid a)
       (resid 100 and name     N and segid a)
       (resid 100 and name    CA and segid a)
       (resid 100 and name     C and segid a) 1.0 -120.0   60.0 2
! ARG+ 100
assign (resid  99 and name     C and segid b)
       (resid 100 and name     N and segid b)
       (resid 100 and name    CA and segid b)
       (resid 100 and name     C and segid b) 1.0 -120.0   60.0 2
! chi one   
!  VAL  32
assign (resid  32 and name     N and segid a)
       (resid  32 and name    CA and segid a)
       (resid  32 and name    CB and segid a)
       (resid  32 and name   CG2 and segid a) 1.0  -60.0   40.0 2
!  VAL  32
assign (resid  32 and name     N and segid b)
       (resid  32 and name    CA and segid b)
       (resid  32 and name    CB and segid b)
       (resid  32 and name   CG2 and segid b) 1.0  -60.0   40.0 2
!  CYS  34
assign (resid  34 and name     N and segid a)
       (resid  34 and name    CA and segid a)
       (resid  34 and name    CB and segid a)
       (resid  34 and name    SG and segid a) 1.0 -120.0  140.0 2
!  CYS  34
assign (resid  34 and name     N and segid b)
       (resid  34 and name    CA and segid b)
       (resid  34 and name    CB and segid b)
       (resid  34 and name    SG and segid b) 1.0 -120.0  140.0 2
!  LEU  35
assign (resid  35 and name     N and segid a)
       (resid  35 and name    CA and segid a)
       (resid  35 and name    CB and segid a)
       (resid  35 and name    CG and segid a) 1.0  -60.0   40.0 2
!  LEU  35
assign (resid  35 and name     N and segid b)
       (resid  35 and name    CA and segid b)
       (resid  35 and name    CB and segid b)
       (resid  35 and name    CG and segid b) 1.0  -60.0   40.0 2
!  CYS  37
assign (resid  37 and name     N and segid a)
       (resid  37 and name    CA and segid a)
       (resid  37 and name    CB and segid a)
       (resid  37 and name    SG and segid a) 1.0  -60.0   40.0 2
!  CYS  37
assign (resid  37 and name     N and segid b)
       (resid  37 and name    CA and segid b)
       (resid  37 and name    CB and segid b)
       (resid  37 and name    SG and segid b) 1.0  -60.0   40.0 2
! ARG+  40
assign (resid  40 and name     N and segid a)
       (resid  40 and name    CA and segid a)
       (resid  40 and name    CB and segid a)
       (resid  40 and name    CG and segid a) 1.0 -120.0  140.0 2
! ARG+  40
assign (resid  40 and name     N and segid b)
       (resid  40 and name    CA and segid b)
       (resid  40 and name    CB and segid b)
       (resid  40 and name    CG and segid b) 1.0 -120.0  140.0 2
!  HIS  41
assign (resid  41 and name     N and segid a)
       (resid  41 and name    CA and segid a)
       (resid  41 and name    CB and segid a)
       (resid  41 and name    CG and segid a) 1.0  -60.0   40.0 2
!  HIS  41
assign (resid  41 and name     N and segid b)
       (resid  41 and name    CA and segid b)
       (resid  41 and name    CB and segid b)
       (resid  41 and name    CG and segid b) 1.0  -60.0   40.0 2
!  ILE  42
assign (resid  42 and name     N and segid a)
       (resid  42 and name    CA and segid a)
       (resid  42 and name    CB and segid a)
       (resid  42 and name   CG1 and segid a) 1.0 -120.0  140.0 2
!  ILE  42
assign (resid  42 and name     N and segid b)
       (resid  42 and name    CA and segid b)
       (resid  42 and name    CB and segid b)
       (resid  42 and name   CG1 and segid b) 1.0 -120.0  140.0 2
!  CYS  44
assign (resid  44 and name     N and segid a)
       (resid  44 and name    CA and segid a)
       (resid  44 and name    CB and segid a)
       (resid  44 and name    SG and segid a) 1.0  180.0   40.0 2
!  CYS  44
assign (resid  44 and name     N and segid b)
       (resid  44 and name    CA and segid b)
       (resid  44 and name    CB and segid b)
       (resid  44 and name    SG and segid b) 1.0  180.0   40.0 2
!  ASN  48
assign (resid  48 and name     N and segid a)
       (resid  48 and name    CA and segid a)
       (resid  48 and name    CB and segid a)
       (resid  48 and name    CG and segid a) 1.0  -60.0   40.0 2
!  ASN  48
assign (resid  48 and name     N and segid b)
       (resid  48 and name    CA and segid b)
       (resid  48 and name    CB and segid b)
       (resid  48 and name    CG and segid b) 1.0  -60.0   40.0 2
! LYS+  52
assign (resid  52 and name     N and segid a)
       (resid  52 and name    CA and segid a)
       (resid  52 and name    CB and segid a)
       (resid  52 and name    CG and segid a) 1.0  -60.0   40.0 2
! LYS+  52
assign (resid  52 and name     N and segid b)
       (resid  52 and name    CA and segid b)
       (resid  52 and name    CB and segid b)
       (resid  52 and name    CG and segid b) 1.0  -60.0   40.0 2
!  GLN  51
assign (resid  51 and name     N and segid a)
       (resid  51 and name    CA and segid a)
       (resid  51 and name    CB and segid a)
       (resid  51 and name    CG and segid a) 1.0  180.0   40.0 2
!  GLN  51
assign (resid  51 and name     N and segid b)
       (resid  51 and name    CA and segid b)
       (resid  51 and name    CB and segid b)
       (resid  51 and name    CG and segid b) 1.0  180.0   40.0 2
!  VAL  54
assign (resid  54 and name     N and segid a)
       (resid  54 and name    CA and segid a)
       (resid  54 and name    CB and segid a)
       (resid  54 and name   CG1 and segid a) 1.0  180.0   40.0 2
!  VAL  54
assign (resid  54 and name     N and segid b)
       (resid  54 and name    CA and segid b)
       (resid  54 and name    CB and segid b)
       (resid  54 and name   CG1 and segid b) 1.0  180.0   40.0 2
!  SER  56
assign (resid  56 and name     N and segid a)
       (resid  56 and name    CA and segid a)
       (resid  56 and name    CB and segid a)
       (resid  56 and name    OG and segid a) 1.0  -60.0   40.0 2
!  SER  56
assign (resid  56 and name     N and segid b)
       (resid  56 and name    CA and segid b)
       (resid  56 and name    CB and segid b)
       (resid  56 and name    OG and segid b) 1.0  -60.0   40.0 2
!  ASN  57
assign (resid  57 and name     N and segid a)
       (resid  57 and name    CA and segid a)
       (resid  57 and name    CB and segid a)
       (resid  57 and name    CG and segid a) 1.0   60.0   40.0 2
!  ASN  57
assign (resid  57 and name     N and segid b)
       (resid  57 and name    CA and segid b)
       (resid  57 and name    CB and segid b)
       (resid  57 and name    CG and segid b) 1.0   60.0   40.0 2
!  ILE  59
assign (resid  59 and name     N and segid a)
       (resid  59 and name    CA and segid a)
       (resid  59 and name    CB and segid a)
       (resid  59 and name   CG1 and segid a) 1.0  -60.0   40.0 2
!  ILE  59
assign (resid  59 and name     N and segid b)
       (resid  59 and name    CA and segid b)
       (resid  59 and name    CB and segid b)
       (resid  59 and name   CG1 and segid b) 1.0  -60.0   40.0 2
!  CYS  60
assign (resid  60 and name     N and segid a)
       (resid  60 and name    CA and segid a)
       (resid  60 and name    CB and segid a)
       (resid  60 and name    SG and segid a) 1.0  -60.0   40.0 2
!  CYS  60
assign (resid  60 and name     N and segid b)
       (resid  60 and name    CA and segid b)
       (resid  60 and name    CB and segid b)
       (resid  60 and name    SG and segid b) 1.0  -60.0   40.0 2
!  TYR  62
assign (resid  62 and name     N and segid a)
       (resid  62 and name    CA and segid a)
       (resid  62 and name    CB and segid a)
       (resid  62 and name    CG and segid a) 1.0  -60.0   40.0 2
!  TYR  62
assign (resid  62 and name     N and segid b)
       (resid  62 and name    CA and segid b)
       (resid  62 and name    CB and segid b)
       (resid  62 and name    CG and segid b) 1.0  -60.0   40.0 2
!  SER  72
assign (resid  72 and name     N and segid a)
       (resid  72 and name    CA and segid a)
       (resid  72 and name    CB and segid a)
       (resid  72 and name    OG and segid a) 1.0 -120.0  140.0 2
!  SER  72
assign (resid  72 and name     N and segid b)
       (resid  72 and name    CA and segid b)
       (resid  72 and name    CB and segid b)
       (resid  72 and name    OG and segid b) 1.0 -120.0  140.0 2
!  THR  87
assign (resid  87 and name     N and segid a)
       (resid  87 and name    CA and segid a)
       (resid  87 and name    CB and segid a)
       (resid  87 and name    OG1 and segid a) 1.0  -60.0   40.0 2
!  THR  87
assign (resid  87 and name     N and segid b)
       (resid  87 and name    CA and segid b)
       (resid  87 and name    CB and segid b)
       (resid  87 and name    OG1 and segid b) 1.0  -60.0   40.0 2
!  ASN  48
assign (resid  48 and name    CA and segid a)
       (resid  48 and name     C and segid a)
       (resid  49 and name     N and segid a)
       (resid  49 and name    CA and segid a) 1.0    0.0   45.0 2
!  ASN  48
assign (resid  48 and name    CA and segid b)
       (resid  48 and name     C and segid b)
       (resid  49 and name     N and segid b)
       (resid  49 and name    CA and segid b) 1.0    0.0   45.0 2




Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Thursday, May 2, 2024 4:02:57 AM GMT (wattos1)