NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing in_recoord stage position program type
11000 1qqv 4428 cing recoord 1-original 4 XPLOR/CNS dihedral angle


!! couplings measured from HNHA 3D exp. and corrected by 11%(up)
!! Phi angle restraints derived from HMQC-J data
!! For J<5Hz   phi=-60+-30 degrees
!! For 59Hz   phi=-120+-30 degrees
 

!!	13	7.3 Hz no constraint

!!	14	8.4 Hz
assign (resid	13 and name c )    (resid    14 and name n )
       (resid   14 and name ca)    (resid    14 and name c ) 1.0 -120.0 40.0 2

!!      15      10.1 Hz
assign (resid   14 and name c )    (resid    15 and name n )
       (resid   15 and name ca)    (resid    15 and name c ) 1.0 -120.0 30.0 2

!!	16	10.0 Hz
assign (resid   15 and name c )    (resid    16 and name n ) 
       (resid   16 and name ca)    (resid    16 and name c ) 1.0 -120.0 30.0 2

!!	18	2.4 Hz
assign (resid   17 and name c )    (resid    18 and name n ) 
       (resid   18 and name ca)    (resid    18 and name c ) 1.0 -60.0 30.0 2

!!	19	3.6 Hz
assign (resid   18 and name c )    (resid    19 and name n ) 
       (resid   19 and name ca)    (resid    19 and name c ) 1.0 -60.0 30.0 2

!!	20	8.4 Hz
!!assign (resid   19 and name c )    (resid    20 and name n ) 
!!       (resid   20 and name ca)    (resid    20 and name c ) 1.0 -120.0 40.0 2

!!	21	8.6 Hz/9.4 Hz
assign (resid   20 and name c )    (resid    21 and name n ) 
       (resid   21 and name ca)    (resid    21 and name c ) 1.0 -120.0 30.0 2

!!	22	small/6.4 Hz no constraint
!!assign (resid   21 and name c )    (resid    22 and name n ) 
!!       (resid   22 and name ca)    (resid    22 and name c ) 1.0 -60.0 40.0 2
 

!!	24	8.4 Hz/7.7 Hz 
assign (resid   23 and name c )    (resid    24 and name n )
       (resid   24 and name ca)    (resid    24 and name c ) 1.0 -120.0 60.0 2

!!	25	5.88 Hz
assign (resid   24 and name c )    (resid    25 and name n ) 
       (resid   25 and name ca)    (resid    25 and name c ) 1.0 -75.0 30.0 2

!!	26	2.2 Hz
assign (resid   25 and name c )    (resid    26 and name n ) 
       (resid   26 and name ca)    (resid    26 and name c ) 1.0 -60.0 30.0 2

!!	27	4.3 Hz
assign (resid   26 and name c )    (resid    27 and name n ) 
       (resid   27 and name ca)    (resid    27 and name c ) 1.0 -60.0 30.0 2

!!	28	9.9 Hz
assign (resid   27 and name c )    (resid    28 and name n ) 
       (resid   28 and name ca)    (resid    28 and name c ) 1.0 -120.0 30.0 2

!!	29	5.0 Hz
assign (resid   28 and name c )    (resid    29 and name n ) 
       (resid   29 and name ca)    (resid    29 and name c ) 1.0 -60.0 30.0 2

!!	31	3.4 Hz
assign (resid   30 and name c )    (resid    31 and name n ) 
       (resid   31 and name ca)    (resid    31 and name c ) 1.0 -60.0 30.0 2

!!	33	8.3 Hz
assign (resid   32 and name c )    (resid    33 and name n ) 
       (resid   33 and name ca)    (resid    33 and name c ) 1.0 -120.0 40.0 2

!!      34      8.6 Hz
assign (resid   33 and name c )    (resid    34 and name n )
       (resid   34 and name ca)    (resid    34 and name c ) 1.0 -120.0 40.0 2

!!	36	8.9 Hz
assign (resid   35 and name c )    (resid    36 and name n ) 
       (resid   36 and name ca)    (resid    36 and name c ) 1.0 -120.0 40.0 2

!!	37	9.7 Hz
assign (resid   36 and name c )    (resid    37 and name n )
       (resid   37 and name ca)    (resid    37 and name c ) 1.0 -120.0 30.0 2

!!	39	4.4 Hz
assign (resid   38 and name c )    (resid    39 and name n ) 
       (resid   39 and name ca)    (resid    39 and name c ) 1.0 -60.0 30.0 2
 
!!	40	6.9 Hz no constraint

!!	41	10.6 Hz
assign (resid   40 and name c )    (resid    41 and name n ) 
       (resid   41 and name ca)    (resid    41 and name c ) 1.0 -120.0 30.0 2

!!	42	9.6 Hz
assign (resid   41 and name c )    (resid    42 and name n ) 
       (resid   42 and name ca)    (resid    42 and name c ) 1.0 -120.0 30.0 2

!!	43	4.3 Hz
assign (resid   42 and name c )    (resid    43 and name n ) 
       (resid   43 and name ca)    (resid    43 and name c ) 1.0 -60.0 30.0 2

!!	45	4.6 Hz
assign (resid   44 and name c )    (resid    45 and name n ) 
       (resid   45 and name ca)    (resid    45 and name c ) 1.0 -60.0 30.0 2

!!	46	6.2 Hz no constraint

!!	47	3.3 Hz
assign (resid   46 and name c )    (resid    47 and name n ) 
       (resid   47 and name ca)    (resid    47 and name c ) 1.0 -60.0 30.0 2

!!	48	4.8 Hz
assign (resid   47 and name c )    (resid    48 and name n ) 
       (resid   48 and name ca)    (resid    48 and name c ) 1.0 -60.0 30.0 2

!!	49	4.6 Hz
assign (resid   48 and name c )    (resid    49 and name n ) 
       (resid   49 and name ca)    (resid    49 and name c ) 1.0 -60.0 30.0 2

!!	50	6.6 Hz no constraint

!!	51	8.4 Hz 
assign (resid   50 and name c )    (resid    51 and name n ) 
       (resid   51 and name ca)    (resid    51 and name c ) 1.0 -120.0 40.0 2

!!	53	7.3 Hz no constraint

!!	54	7.4 Hz no constraint

!!	55	3.4 Hz
assign (resid   54 and name c )    (resid    55 and name n ) 
       (resid   55 and name ca)    (resid    55 and name c ) 1.0 -60.0 30.0 2

!!	57	5.4 Hz
assign (resid   56 and name c )    (resid    57 and name n ) 
       (resid   57 and name ca)    (resid    57 and name c ) 1.0 -75.0 30.0 2

!!	58	4.0 Hz
assign (resid   57 and name c )    (resid    58 and name n ) 
       (resid   58 and name ca)    (resid    58 and name c ) 1.0 -60.0 30.0 2

!!	59	5.5 Hz
assign (resid   58 and name c )    (resid    59 and name n ) 
       (resid   59 and name ca)    (resid    59 and name c ) 1.0 -75.0 30.0 2

!!	60	9.0 Hz 
assign (resid   59 and name c )    (resid    60 and name n ) 
       (resid   60 and name ca)    (resid    60 and name c ) 1.0 -120.0 30.0 2

!!	61	6.5 Hz no constraint

!!	64	2.8 Hz
assign (resid   63 and name c )    (resid    64 and name n ) 
       (resid   64 and name ca)    (resid    64 and name c ) 1.0 -60.0 30.0 2

!!	65	7.8 Hz no constraint 

!!	66	5.0 Hz
assign (resid   65 and name c )    (resid    66 and name n ) 
       (resid   66 and name ca)    (resid    66 and name c ) 1.0 -60.0 30.0 2

!!	67	4.3 Hz
assign (resid   66 and name c )    (resid    67 and name n ) 
       (resid   67 and name ca)    (resid    67 and name c ) 1.0 -60.0 30.0 2

!!	68	4.0 Hz
assign (resid   67 and name c )    (resid    68 and name n ) 
       (resid   68 and name ca)    (resid    68 and name c ) 1.0 -60.0 30.0 2

!!	69	4.9 Hz
assign (resid   68 and name c )    (resid    69 and name n ) 
       (resid   69 and name ca)    (resid    69 and name c ) 1.0 -60.0 30.0 2

!!	70	4.3 Hz
assign (resid   69 and name c )    (resid    70 and name n ) 
       (resid   70 and name ca)    (resid    70 and name c ) 1.0 -60.0 30.0 2

!!	71	4.4 Hz
assign (resid   70 and name c )    (resid    71 and name n ) 
       (resid   71 and name ca)    (resid    71 and name c ) 1.0 -60.0 30.0 2

!!	72	4.3 Hz
assign (resid   71 and name c )    (resid    72 and name n ) 
       (resid   72 and name ca)    (resid    72 and name c ) 1.0 -60.0 30.0 2

!!	73	8.8 Hz
assign (resid   72 and name c )    (resid    73 and name n ) 
       (resid   73 and name ca)    (resid    73 and name c ) 1.0 -120.0 40.0 2

!!	75	9.2 Hz 
assign (resid   74 and name c )    (resid    75 and name n ) 
       (resid   75 and name ca)    (resid    75 and name c ) 1.0 -120.0 30.0 2

!!	76	7.9 Hz no constraint
assign (resid   75 and name c )    (resid    76 and name n )
       (resid   76 and name ca)    (resid    76 and name c ) 1.0 -120.0 40.0 2      


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