NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
6449 1j3c cing 1-original 3 XPLOR/CNS dipolar coupling



!dipolar coupling constant restraints
!

! K3   
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 3    and name N     )
       ( resid 3    and name HN    )   1.29  0.34  0.34

! K4   
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 4    and name N     )
       ( resid 4    and name HN    )   0.62  0.46  0.46

! D5   
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 5    and name N     )
       ( resid 5    and name HN    )   6.38  1.46  1.46

! N7   
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 7    and name N     )
       ( resid 7    and name HN    )  -3.73  0.52  0.52

! A8   
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 8    and name N     )
       ( resid 8    and name HN    )  -3.63  1.09  1.09

! K10  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 10   and name N     )
       ( resid 10   and name HN    )  16.94  1.02  1.02

! R11  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 11   and name N     )
       ( resid 11   and name HN    )  -5.56  0.91  0.91

! S14  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 14   and name N     )
       ( resid 14   and name HN    )  -8.28  0.76  0.76

! A15  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 15   and name N     )
       ( resid 15   and name HN    )  15.11  1.22  1.22

! F16  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 16   and name N     )
       ( resid 16   and name HN    )  17.29  0.78  0.78

! F17  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 17   and name N     )
       ( resid 17   and name HN    )  -0.23  1.29  1.29

! L18  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 18   and name N     )
       ( resid 18   and name HN    )  10.80  1.21  1.21

! F19  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 19   and name N     )
       ( resid 19   and name HN    )  19.85  0.95  0.95

! C20  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 20   and name N     )
       ( resid 20   and name HN    )   8.49  0.42  0.42

! S21  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 21   and name N     )
       ( resid 21   and name HN    )   0.38  0.23  0.23

! E22  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 22   and name N     )
       ( resid 22   and name HN    )  20.13  1.18  1.18

! Y23  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 23   and name N     )
       ( resid 23   and name HN    )   9.24  1.02  1.02

! R24  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 24   and name N     )
       ( resid 24   and name HN    )  -12.59  0.22  0.22

! K26  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 26   and name N     )
       ( resid 26   and name HN    )   1.37  1.34  1.34

! I27  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 27   and name N     )
       ( resid 27   and name HN    )  -11.56  1.12  1.12

! K28  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 28   and name N     )
       ( resid 28   and name HN    )  -16.03  0.48  0.48

! S29  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 29   and name N     )
       ( resid 29   and name HN    )  -9.47  0.14  0.14

! H31  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 31   and name N     )
       ( resid 31   and name HN    )  -13.82  0.72  0.72

! L34  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 34   and name N     )
       ( resid 34   and name HN    )   5.28  0.70  0.70

! S35  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 35   and name N     )
       ( resid 35   and name HN    )   0.15  1.19  1.19

! D38  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 38   and name N     )
       ( resid 38   and name HN    )   3.03  1.31  1.31

! T39  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 39   and name N     )
       ( resid 39   and name HN    )  -8.11  0.51  0.51

! A40  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 40   and name N     )
       ( resid 40   and name HN    )  -7.82  0.39  0.39

! K41  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 41   and name N     )
       ( resid 41   and name HN    )  -6.25  0.90  0.90

! K42  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 42   and name N     )
       ( resid 42   and name HN    )   0.20  0.18  0.18

! L43  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 43   and name N     )
       ( resid 43   and name HN    )  -5.54  0.97  0.97

! G44  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 44   and name N     )
       ( resid 44   and name HN    )  -8.81  0.82  0.82

! E45  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 45   and name N     )
       ( resid 45   and name HN    )  -3.16  0.98  0.98

! M46  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 46   and name N     )
       ( resid 46   and name HN    )  -3.83  0.53  0.53

! W47  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 47   and name N     )
       ( resid 47   and name HN    )  -6.98  1.23  1.23

! S48  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 48   and name N     )
       ( resid 48   and name HN    )  -8.74  0.21  0.21

! E49  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 49   and name N     )
       ( resid 49   and name HN    )   3.07  0.64  0.64

! Q50  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 50   and name N     )
       ( resid 50   and name HN    )  -8.81  0.55  0.55

! S51  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 51   and name N     )
       ( resid 51   and name HN    )  17.03  0.97  0.97

! K53  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 53   and name N     )
       ( resid 53   and name HN    )  -7.68  0.94  0.94

! D54  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 54   and name N     )
       ( resid 54   and name HN    )   6.32  1.02  1.02

! K55  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 55   and name N     )
       ( resid 55   and name HN    )   9.17  1.07  1.07

! Q56  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 56   and name N     )
       ( resid 56   and name HN    )  -12.92  0.19  0.19

! Y58  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 58   and name N     )
       ( resid 58   and name HN    )  -7.74  0.40  0.40

! E59  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 59   and name N     )
       ( resid 59   and name HN    )  -15.48  1.11  1.11

! Q60  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 60   and name N     )
       ( resid 60   and name HN    )  -18.22  1.27  1.27

! K61  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 61   and name N     )
       ( resid 61   and name HN    )  -19.09  0.60  0.60

! A62  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 62   and name N     )
       ( resid 62   and name HN    )  -11.49  1.11  1.11

! A63  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 63   and name N     )
       ( resid 63   and name HN    )  -17.10  0.06  0.06

! K64  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 64   and name N     )
       ( resid 64   and name HN    )  -12.95  0.79  0.79

! L65  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 65   and name N     )
       ( resid 65   and name HN    )  -15.41  0.65  0.65

! K66  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 66   and name N     )
       ( resid 66   and name HN    )  -16.47  0.58  0.58

! E67  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 67   and name N     )
       ( resid 67   and name HN    )  -13.58  1.16  1.16

! K68  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 68   and name N     )
       ( resid 68   and name HN    )  -17.41  0.17  0.17

! Y69  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 69   and name N     )
       ( resid 69   and name HN    )  -15.77  0.31  0.31

! E70  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 70   and name N     )
       ( resid 70   and name HN    )  -21.50  1.25  1.25

! K71  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 71   and name N     )
       ( resid 71   and name HN    )  -10.86  1.12  1.12

! D72  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 72   and name N     )
       ( resid 72   and name HN    )  -20.14  0.91  0.91

! I73  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 73   and name N     )
       ( resid 73   and name HN    )  -12.66  0.36  0.36

! A74  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 74   and name N     )
       ( resid 74   and name HN    )  -13.77  0.54  0.54

! Y76  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 76   and name N     )
       ( resid 76   and name HN    )  -7.87  0.89  0.89

! R77  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 77   and name N     )
       ( resid 77   and name HN    )  -1.24  0.32  0.32

! A78  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 78   and name N     )
       ( resid 78   and name HN    )   3.13  0.60  0.60

! K79  
assign ( resid 500  and name OO    )
       ( resid 500  and name Z     )
       ( resid 500  and name X	   )
       ( resid 500  and name Y     )
       ( resid 79   and name N     )
       ( resid 79   and name HN    )  -0.24  0.56  0.56


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