NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
275429 2kj1 cing 1-original 3 XPLOR/CNS dipolar coupling


! N-H RDC straints for monomer A (AN1) acquired with J-scaled TROSY-HNCO experiments;
! same set of restraints were applied to other monomers B(AN2) , C(AM3) and D(AN4) accordingly;

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    42 and name    N and segid AN1)
       ( resid    42 and name   HN and segid AN1)    2.120  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    43 and name    N and segid AN1)
       ( resid    43 and name   HN and segid AN1)   -2.740  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    45 and name    N and segid AN1)
       ( resid    45 and name   HN and segid AN1)    3.340  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    46 and name    N and segid AN1)
       ( resid    46 and name   HN and segid AN1)    6.920  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    47 and name    N and segid AN1)
       ( resid    47 and name   HN and segid AN1)    2.170  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    48 and name    N and segid AN1)
       ( resid    48 and name   HN and segid AN1)   10.700  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    49 and name    N and segid AN1)
       ( resid    49 and name   HN and segid AN1)    4.910  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    50 and name    N and segid AN1)
       ( resid    50 and name   HN and segid AN1)    2.830  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    51 and name    N and segid AN1)
       ( resid    51 and name   HN and segid AN1)    8.050  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    52 and name    N and segid AN1)
       ( resid    52 and name   HN and segid AN1)   11.250  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    53 and name    N and segid AN1)
       ( resid    53 and name   HN and segid AN1)    3.840  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    54 and name    N and segid AN1)
       ( resid    54 and name   HN and segid AN1)    2.030  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    55 and name    N and segid AN1)
       ( resid    55 and name   HN and segid AN1)    6.970  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    56 and name    N and segid AN1)
       ( resid    56 and name   HN and segid AN1)    9.330  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    57 and name    N and segid AN1)
       ( resid    57 and name   HN and segid AN1)    2.620  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    58 and name    N and segid AN1)
       ( resid    58 and name   HN and segid AN1)    3.670  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    59 and name    N and segid AN1)
       ( resid    59 and name   HN and segid AN1)    8.860  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    60 and name    N and segid AN1)
       ( resid    60 and name   HN and segid AN1)    6.070  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    61 and name    N and segid AN1)
       ( resid    61 and name   HN and segid AN1)    4.600  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    62 and name    N and segid AN1)
       ( resid    62 and name   HN and segid AN1)   -0.750  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    63 and name    N and segid AN1)
       ( resid    63 and name   HN and segid AN1)    8.450  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    64 and name    N and segid AN1)
       ( resid    64 and name   HN and segid AN1)    6.300  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    65 and name    N and segid AN1)
       ( resid    65 and name   HN and segid AN1)    3.100  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    66 and name    N and segid AN1)
       ( resid    66 and name   HN and segid AN1)    5.940  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    67 and name    N and segid AN1)
       ( resid    67 and name   HN and segid AN1)    4.620  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    68 and name    N and segid AN1)
       ( resid    68 and name   HN and segid AN1)    5.440  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    69 and name    N and segid AN1)
       ( resid    69 and name   HN and segid AN1)    3.800  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    70 and name    N and segid AN1)
       ( resid    70 and name   HN and segid AN1)    3.170  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    71 and name    N and segid AN1)
       ( resid    71 and name   HN and segid AN1)    3.630  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    72 and name    N and segid AN1)
       ( resid    72 and name   HN and segid AN1)    5.430  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    73 and name    N and segid AN1)
       ( resid    73 and name   HN and segid AN1)    6.390  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    74 and name    N and segid AN1)
       ( resid    74 and name   HN and segid AN1)    1.420  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    75 and name    N and segid AN1)
       ( resid    75 and name   HN and segid AN1)    4.920  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    76 and name    N and segid AN1)
       ( resid    76 and name   HN and segid AN1)    8.220  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    77 and name    N and segid AN1)
       ( resid    77 and name   HN and segid AN1)    2.940  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    78 and name    N and segid AN1)
       ( resid    78 and name   HN and segid AN1)    4.110  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    79 and name    N and segid AN1)
       ( resid    79 and name   HN and segid AN1)    6.450  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    80 and name    N and segid AN1)
       ( resid    80 and name   HN and segid AN1)    6.260  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    81 and name    N and segid AN1)
       ( resid    81 and name   HN and segid AN1)    0.600  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    82 and name    N and segid AN1)
       ( resid    82 and name   HN and segid AN1)    4.470  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    83 and name    N and segid AN1)
       ( resid    83 and name   HN and segid AN1)    7.690  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    84 and name    N and segid AN1)
       ( resid    84 and name   HN and segid AN1)    0.670  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    85 and name    N and segid AN1)
       ( resid    85 and name   HN and segid AN1)    3.060  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    86 and name    N and segid AN1)
       ( resid    86 and name   HN and segid AN1)   -2.130  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    87 and name    N and segid AN1)
       ( resid    87 and name   HN and segid AN1)    0.570  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    88 and name    N and segid AN1)
       ( resid    88 and name   HN and segid AN1)    0.870  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    89 and name    N and segid AN1)
       ( resid    89 and name   HN and segid AN1)    3.740  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    90 and name    N and segid AN1)
       ( resid    90 and name   HN and segid AN1)   -0.470  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    91 and name    N and segid AN1)
       ( resid    91 and name   HN and segid AN1)    2.090  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    92 and name    N and segid AN1)
       ( resid    92 and name   HN and segid AN1)    0.970  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    93 and name    N and segid AN1)
       ( resid    93 and name   HN and segid AN1)    1.680  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    94 and name    N and segid AN1)
       ( resid    94 and name   HN and segid AN1)   -2.320  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    95 and name    N and segid AN1)
       ( resid    95 and name   HN and segid AN1)    4.280  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    96 and name    N and segid AN1)
       ( resid    96 and name   HN and segid AN1)    2.960  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    97 and name    N and segid AN1)
       ( resid    97 and name   HN and segid AN1)   -1.440  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    98 and name    N and segid AN1)
       ( resid    98 and name   HN and segid AN1)   -1.930  1.00  1.00

assign ( resid   500 and name   OO and segid SSS)
       ( resid   500 and name    Z and segid SSS)
       ( resid   500 and name    X and segid SSS)
       ( resid   500 and name    Y and segid SSS)
       ( resid    99 and name    N and segid AN1)
       ( resid    99 and name   HN and segid AN1)    3.670  1.00  1.00



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