NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage position program type
605675 2n9y 25920 cing 1-original 5 unknown unknown


#from ngel3, abP complex

VARS   RESID_I RESNAME_I ATOMNAME_I RESID_J RESNAME_J ATOMNAME_J D DD W
FORMAT %5d     %6s       %6s        %5d     %6s    %6s %9.3f %9.3f %.2f

  969    VAL     HN   969    VAL      N    -17.315       1.000  1.00
  970    LEU     HN   970    LEU      N    -17.410       1.000  1.00
  972    GLY     HN   972    GLY      N    -32.692       1.000  1.00
  973    VAL     HN   973    VAL      N    -16.384       1.000  1.00
  974    LEU     HN   974    LEU      N    -16.452       1.000  1.00
  975    GLY     HN   975    GLY      N    -28.851       1.000  1.00
  976    GLY     HN   976    GLY      N    -22.765       1.000  1.00
  984    VAL     HN   984    VAL      N    -14.150       1.000  1.00
  987    MET     HN   987    MET      N    -24.005       1.000  1.00
  988    TRP     HN   988    TRP      N    -11.571       1.000  1.00
  989    LYS     HN   989    LYS      N    -18.117       1.000  1.00
  990    VAL     HN   990    VAL      N    -25.710       1.000  1.00
  991    GLY     HN   991    GLY      N     15.007       1.000  1.00
  993    PHE     HN   993    PHE      N     22.127       1.000  1.00
  994    LYS     HN   994    LYS      N     -0.392       1.000  1.00

  693    ILE     HN   693    ILE      N     -6.375       1.000  1.00
  695    VAL     HN   695    VAL      N    -16.023       1.000  1.00
  697    LEU     HN   697    LEU      N     -5.925       1.000  1.00
  698    LEU     HN   698    LEU      N    -15.470       1.000  1.00
  701    MET     HN   701    MET      N     -6.864       1.000  1.00
  702    GLY     HN   702    GLY      N    -20.803       1.000  1.00
  703    ALA     HN   703    ALA      N     -9.384       1.000  1.00
  704    ILE     HN   704    ILE      N      2.013       1.000  1.00
  705    LEU     HN   705    LEU      N     -9.369       1.000  1.00
  706    LEU     HN   706    LEU      N    -13.254       1.000  1.00
  707    ILE     HN   707    ILE      N     -0.932       1.000  1.00
  708    GLY     HN   708    GLY      N     -0.302       1.000  1.00
  716    LYS     HN   716    LYS      N     -7.429       1.000  1.00
  718    LEU     HN   718    LEU      N      1.991       1.000  1.00
  720    THR     HN   720    THR      N    -10.054       1.000  1.00
  724    ARG     HN   724    ARG      N    -19.227       1.000  1.00
#from ngel2, abP complex

VARS   RESID_I RESNAME_I ATOMNAME_I RESID_J RESNAME_J ATOMNAME_J D DD W
FORMAT %5d     %6s       %6s        %5d     %6s    %6s %9.3f %9.3f %.2f

  968    TRP     HN   968    TRP      N    -35.797       1.000  1.00
  969    VAL     HN   969    VAL      N    -27.334       1.000  1.00
  970    LEU     HN   970    LEU      N    -27.602       1.000  1.00
  972    GLY     HN   972    GLY      N    -45.242       1.000  1.00
  973    VAL     HN   973    VAL      N    -24.771       1.000  1.00
  974    LEU     HN   974    LEU      N    -26.575       1.000  1.00
  975    GLY     HN   975    GLY      N    -44.514       1.000  1.00
  976    GLY     HN   976    GLY      N    -35.742       1.000  1.00
  977    LEU     HN   977    LEU      N    -19.751       1.000  1.00
  982    ILE     HN   982    ILE      N    -35.533       1.000  1.00
  984    VAL     HN   984    VAL      N    -25.161       1.000  1.00
  987    MET     HN   987    MET      N    -33.713       1.000  1.00
  989    LYS     HN   989    LYS      N    -29.452       1.000  1.00
  990    VAL     HN   990    VAL      N    -43.280       1.000  1.00
  991    GLY     HN   991    GLY      N     21.475       1.000  1.00
  993    PHE     HN   993    PHE      N     26.332       1.000  1.00
  994    LYS     HN   994    LYS      N      2.731       1.000  1.00

  695    VAL     HN   695    VAL      N    -33.093       1.000  1.00
  698    LEU     HN   698    LEU      N    -27.175       1.000  1.00
  701    MET     HN   701    MET      N    -19.013       1.000  1.00
  702    GLY     HN   702    GLY      N    -32.523       1.000  1.00
  703    ALA     HN   703    ALA      N    -17.472       1.000  1.00
  707    ILE     HN   707    ILE      N     -8.797       1.000  1.00
  708    GLY     HN   708    GLY      N    -10.280       1.000  1.00
  712    LEU     HN   712    LEU      N    -13.506       1.000  1.00
  713    LEU     HN   713    LEU      N    -25.829       1.000  1.00
  721    ILE     HN   721    ILE      N    -18.842       1.000  1.00
  724    ARG     HN   724    ARG      N    -29.643       1.000  1.00
# ngel1, aIIb monomer

VARS   RESID_I RESNAME_I ATOMNAME_I RESID_J RESNAME_J ATOMNAME_J D DD W
FORMAT %5d     %6s       %6s        %5d     %6s    %6s %9.3f %9.3f %.2f

#    3    LEU     HN     3    LEU      N     -0.715       1.000  1.00
#    4    GLU     HN     4    GLU      N      0.641       1.000  1.00
#    5    GLU     HN     5    GLU      N      3.499       1.000  1.00
#    6    ARG     HN     6    ARG      N     -1.657       1.000  1.00
#    7    ALA     HN     7    ALA      N      2.478       1.000  1.00
#    8    ILE     HN     8    ILE      N     -0.138       1.000  1.00
   11    TRP     HN    11    TRP      N     28.794       1.000  1.00
   12    TRP     HN    12    TRP      N     28.698       1.000  1.00
   13    VAL     HN    13    VAL      N     19.735       1.000  1.00
   14    LEU     HN    14    LEU      N     29.817       1.000  1.00
   15    VAL     HN    15    VAL      N     34.644       1.000  1.00
   16    GLY     HN    16    GLY      N     28.680       1.000  1.00
   17    VAL     HN    17    VAL      N     24.268       1.000  1.00
   18    LEU     HN    18    LEU      N     31.229       1.000  1.00
   19    GLY     HN    19    GLY      N     33.937       1.000  1.00
   20    GLY     HN    20    GLY      N     24.904       1.000  1.00
   21    LEU     HN    21    LEU      N     23.263       1.000  1.00
   22    LEU     HN    22    LEU      N     33.863       1.000  1.00
   23    LEU     HN    23    LEU      N     30.937       1.000  1.00
   24    LEU     HN    24    LEU      N     23.918       1.000  1.00
   25    THR     HN    25    THR      N     28.139       1.000  1.00
   26    ILE     HN    26    ILE      N     33.087       1.000  1.00
   27    LEU     HN    27    LEU      N     27.407       1.000  1.00
   28    VAL     HN    28    VAL      N     22.975       1.000  1.00
   29    LEU     HN    29    LEU      N     30.348       1.000  1.00
   30    ALA     HN    30    ALA      N     35.142       1.000  1.00
   31    MET     HN    31    MET      N     25.736       1.000  1.00
   32    TRP     HN    32    TRP      N     25.197       1.000  1.00
   33    LYS     HN    33    LYS      N     34.138       1.000  1.00
   34    VAL     HN    34    VAL      N     26.176       1.000  1.00
   35    GLY     HN    35    GLY      N     -2.299       1.000  1.00
   36    PHE     HN    36    PHE      N      6.347       1.000  1.00
   37    PHE     HN    37    PHE      N     -8.981       1.000  1.00
   38    LYS     HN    38    LYS      N     -9.998       1.000  1.00
#   39    ARG     HN    39    ARG      N     -1.622       1.000  1.00
#   41    ARG     HN    41    ARG      N      1.639       1.000  1.00


#    2    ALA      C     2    ALA     CA      0.370       0.200  5.00
#    3    LEU      C     3    LEU     CA      0.580       0.200  5.00
#    4    GLU      C     4    GLU     CA      0.040       0.200  5.00
#    5    GLU      C     5    GLU     CA      0.340       0.200  5.00
#    6    ARG      C     6    ARG     CA      1.000       0.200  5.00
#    7    ALA      C     7    ALA     CA      1.540       0.200  5.00
   10    ILE      C    10    ILE     CA      2.110       0.200  5.00
   11    TRP      C    11    TRP     CA     -1.110       0.200  5.00
   12    TRP      C    12    TRP     CA      1.480       0.200  5.00
   13    VAL      C    13    VAL     CA      2.690       0.200  5.00
   14    LEU      C    14    LEU     CA      0.080       0.200  5.00
   15    VAL      C    15    VAL     CA      0.080       0.200  5.00
   16    GLY      C    16    GLY     CA      3.260       0.200  5.00
   17    VAL      C    17    VAL     CA      2.190       0.200  5.00
   18    LEU      C    18    LEU     CA     -1.420       0.200  5.00
   19    GLY      C    19    GLY     CA      0.870       0.200  5.00
   20    GLY      C    20    GLY     CA      3.140       0.200  5.00
   21    LEU      C    21    LEU     CA      0.870       0.200  5.00
   22    LEU      C    22    LEU     CA     -1.690       0.200  5.00
   23    LEU      C    23    LEU     CA      2.420       0.200  5.00
   24    LEU      C    24    LEU     CA      2.540       0.200  5.00
   25    THR      C    25    THR     CA     -0.040       0.200  5.00
   26    ILE      C    26    ILE     CA     -0.500       0.200  5.00
   27    LEU      C    27    LEU     CA      2.420       0.200  5.00
   29    LEU      C    29    LEU     CA     -1.600       0.200  5.00
   30    ALA      C    30    ALA     CA      1.210       0.200  5.00
   31    MET      C    31    MET     CA      2.850       0.200  5.00
   32    TRP      C    32    TRP     CA      1.000       0.200  5.00
   33    LYS      C    33    LYS     CA     -0.930       0.200  5.00
   34    VAL      C    34    VAL     CA      1.420       0.200  5.00
   35    GLY      C    35    GLY     CA     -1.080       0.200  5.00
   36    PHE      C    36    PHE     CA     -1.960       0.200  5.00
   37    PHE      C    37    PHE     CA      4.440       0.200  5.00
   38    LYS      C    38    LYS     CA     -1.370       0.200  5.00
#   40    ASN      C    40    ASN     CA      0.000       0.200  5.00


#    2    GLU      C     3    LEU      N     -0.222       0.125  8.00
#    3    LEU      C     4    GLU      N     -0.104       0.125  8.00
#    4    GLU      C     5    GLU      N     -0.140       0.125  8.00
#    5    GLU      C     6    ARG      N      0.426       0.125  8.00
#    6    ARG      C     7    ALA      N     -0.956       0.125  8.00
#    7    ALA      C     8    ILE      N      1.236       0.125  8.00
   10    LEU      C    11    TRP      N     -0.726       0.125  8.00
   11    TRP      C    12    TRP      N     -1.114       0.125  8.00
   12    TRP      C    13    VAL      N     -1.300       0.125  8.00
   13    VAL      C    14    LEU      N     -1.926       0.125  8.00
   14    LEU      C    15    VAL      N     -0.644       0.125  8.00
   15    VAL      C    16    GLY      N     -0.848       0.125  8.00
   16    GLY      C    17    VAL      N     -2.472       0.125  8.00
   17    VAL      C    18    LEU      N     -1.116       0.125  8.00
   18    LEU      C    19    GLY      N     -0.564       0.125  8.00
   19    GLY      C    20    GLY      N     -0.806       0.125  8.00
   20    GLY      C    21    LEU      N     -2.414       0.125  8.00
   21    LEU      C    22    LEU      N     -0.294       0.125  8.00
   22    LEU      C    23    LEU      N     -0.674       0.125  8.00
   23    LEU      C    24    LEU      N     -1.436       0.125  8.00
   24    LEU      C    25    THR      N     -1.746       0.125  8.00
   25    THR      C    26    ILE      N     -0.628       0.125  8.00
   26    ILE      C    27    LEU      N     -0.570       0.125  8.00
   27    LEU      C    28    VAL      N     -2.312       0.125  8.00
   29    LEU      C    30    ALA      N     -0.754       0.125  8.00
   30    ALA      C    31    MET      N     -0.810       0.125  8.00
   31    MET      C    32    TRP      N     -2.444       0.125  8.00
   32    TRP      C    33    LYS      N     -0.486       0.125  8.00
   33    LYS      C    34    VAL      N     -0.986       0.125  8.00
   34    VAL      C    35    GLY      N     -1.938       0.125  8.00
   35    GLY      C    36    PHE      N      2.202       0.125  8.00
   36    PHE      C    37    PHE      N     -1.938       0.125  8.00
   37    PHE      C    38    LYS      N      0.420       0.125  8.00
#   38    LYS      C    39    ARG      N      0.506       0.125  8.00
#   40    ARG      C    41    ARG      N      0.134       0.125  8.00
# from ngel2, b3(A711P/K716A) monomer

VARS   RESID_I RESNAME_I ATOMNAME_I RESID_J RESNAME_J ATOMNAME_J D DD W
FORMAT %5d     %6s       %6s        %5d     %6s    %6s %9.3f %9.3f %.2f

#    3    SER     HN     3    SER      N     -3.732       1.000  1.00
#    5    LYS     HN     5    LYS      N     -5.820       1.000  1.00
#    6    GLY     HN     6    GLY      N     -5.237       1.000  1.00
    8    ASP     HN     8    ASP      N     -7.396       1.000  1.00
    9    ILE     HN     9    ILE      N     -3.239       1.000  1.00
   10    LEU     HN    10    LEU      N      8.323       1.000  1.00
   11    VAL     HN    11    VAL      N      6.927       1.000  1.00
   12    VAL     HN    12    VAL      N     -2.410       1.000  1.00
   13    LEU     HN    13    LEU      N      0.703       1.000  1.00
   14    LEU     HN    14    LEU      N     10.599       1.000  1.00
   15    SER     HN    15    SER      N      5.924       1.000  1.00
   16    VAL     HN    16    VAL      N     -4.451       1.000  1.00
   17    MET     HN    17    MET      N      4.300       1.000  1.00
   18    GLY     HN    18    GLY      N      9.135       1.000  1.00
   19    ALA     HN    19    ALA      N      0.094       1.000  1.00
   20    ILE     HN    20    ILE      N     -2.054       1.000  1.00
   21    LEU     HN    21    LEU      N      7.243       1.000  1.00
   22    LEU     HN    22    LEU      N      6.874       1.000  1.00
   23    ILE     HN    23    ILE      N     -3.254       1.000  1.00
   24    GLY     HN    24    GLY      N      2.165       1.000  1.00
   25    LEU     HN    25    LEU      N      9.968       1.000  1.00
   26    ALA     HN    26    ALA      N     -3.786       1.000  1.00
   28    LEU     HN    28    LEU      N     -0.975       1.000  1.00
   29    LEU     HN    29    LEU      N     -1.957       1.000  1.00
   30    ILE     HN    30    ILE      N     -9.723       1.000  1.00
   31    TRP     HN    31    TRP      N    -12.719       1.000  1.00
   32    ALA     HN    32    ALA      N     -4.839       1.000  1.00
   33    LEU     HN    33    LEU      N     -3.863       1.000  1.00
   34    LEU     HN    34    LEU      N    -11.527       1.000  1.00
   35    ILE     HN    35    ILE      N     -7.934       1.000  1.00
   36    THR     HN    36    THR      N     -0.607       1.000  1.00
   37    ILE     HN    37    ILE      N     -7.412       1.000  1.00
   38    HIS     HN    38    HIS      N    -11.208       1.000  1.00
#   39    ASP     HN    39    ASP      N     -2.582       1.000  1.00
#   40    ARG     HN    40    ARG      N     -0.162       1.000  1.00
#   41    LYS     HN    41    LYS      N     -1.692       1.000  1.00
#   42    GLU     HN    42    GLU      N     -0.577       1.000  1.00
#   43    PHE     HN    43    PHE      N     -0.785       1.000  1.00


#    2    GLU      C     2    GLU     CA      0.580       0.200  5.00
#    4    PRO      C     4    PRO     CA     -0.020       0.200  5.00
#    5    LYS      C     5    LYS     CA      1.660       0.200  5.00
#    7    PRO      C     7    PRO     CA     -1.120       0.200  5.00
    8    ASP      C     8    ASP     CA      2.730       0.200  5.00
    9    ILE      C     9    ILE     CA      0.490       0.200  5.00
   10    LEU      C    10    LEU     CA     -2.120       0.200  5.00
   11    VAL      C    11    VAL     CA      0.720       0.200  5.00
   12    VAL      C    12    VAL     CA      2.630       0.200  5.00
   13    LEU      C    13    LEU     CA     -0.850       0.200  5.00
   14    LEU      C    14    LEU     CA     -2.000       0.200  5.00
   15    SER      C    15    SER     CA      2.170       0.200  5.00
   16    VAL      C    16    VAL     CA      1.570       0.200  5.00
   17    MET      C    17    MET     CA     -2.240       0.200  5.00
   18    GLY      C    18    GLY     CA     -0.400       0.200  5.00
   19    ALA      C    19    ALA     CA      2.880       0.200  5.00
   20    ILE      C    20    ILE     CA     -0.550       0.200  5.00
   21    LEU      C    21    LEU     CA     -2.550       0.200  5.00
   22    LEU      C    22    LEU     CA      1.090       0.200  5.00
   24    GLY      C    24    GLY     CA     -2.220       0.200  5.00
   25    LEU      C    25    LEU     CA     -2.020       0.200  5.00
   27    PRO      C    27    PRO     CA      0.630       0.200  5.00
   28    LEU      C    28    LEU     CA     -1.350       0.200  5.00
   29    LEU      C    29    LEU     CA     -1.490       0.200  5.00
   30    ILE      C    30    ILE     CA      2.590       0.200  5.00
   31    TRP      C    31    TRP     CA     -0.860       0.200  5.00
   32    ALA      C    32    ALA     CA     -2.340       0.200  5.00
   33    LEU      C    33    LEU     CA      0.340       0.200  5.00
   34    LEU      C    34    LEU     CA      1.630       0.200  5.00
   35    ILE      C    35    ILE     CA     -1.020       0.200  5.00
   36    THR      C    36    THR     CA     -1.910       0.200  5.00
   37    ILE      C    37    ILE     CA      1.530       0.200  5.00
   38    HIS      C    38    HIS     CA      0.150       0.200  5.00
   39    ASP      C    39    ASP     CA     -0.630       0.200  5.00
#   40    ARG      C    40    ARG     CA     -1.140       0.200  5.00
#   41    LYS      C    41    LYS     CA     -0.520       0.200  5.00
#   42    GLU      C    42    GLU     CA      0.220       0.200  5.00


#    2    ASP      C     3    SER      N     -0.050       0.125  8.00
#    4    PHE      C     5    LYS      N     -0.236       0.125  8.00
#    5    LYS      C     6    GLY      N     -0.064       0.125  8.00
#    7    GLY      C     8    ASP      N     -0.262       0.125  8.00
    8    ASP      C     9    ILE      N     -0.918       0.125  8.00
    9    ILE      C    10    LEU      N     -0.386       0.125  8.00
   10    LEU      C    11    VAL      N      0.888       0.125  8.00
   11    VAL      C    12    VAL      N     -0.654       0.125  8.00
   12    VAL      C    13    LEU      N     -0.962       0.125  8.00
   13    LEU      C    14    LEU      N      0.188       0.125  8.00
   14    LEU      C    15    SER      N      0.630       0.125  8.00
   15    SER      C    16    VAL      N     -1.206       0.125  8.00
   16    VAL      C    17    MET      N     -0.500       0.125  8.00
   17    MET      C    18    GLY      N      0.716       0.125  8.00
   18    GLY      C    19    ALA      N     -0.246       0.125  8.00
   19    ALA      C    20    ILE      N     -1.252       0.125  8.00
   20    ILE      C    21    LEU      N     -0.062       0.125  8.00
   21    LEU      C    22    LEU      N      0.994       0.125  8.00
   22    LEU      C    23    ILE      N     -1.046       0.125  8.00
   24    GLU      C    25    LEU      N      0.478       0.125  8.00
   25    LEU      C    26    ALA      N      0.086       0.125  8.00
   27    VAL      C    28    LEU      N     -0.556       0.125  8.00
   28    LEU      C    29    LEU      N      1.604       0.125  8.00
   29    LEU      C    30    ILE      N     -0.148       0.125  8.00
   30    ILE      C    31    TRP      N     -0.270       0.125  8.00
   31    TRP      C    32    ALA      N      0.180       0.125  8.00
   32    ALA      C    33    LEU      N      0.932       0.125  8.00
   33    LEU      C    34    LEU      N      0.062       0.125  8.00
   34    LEU      C    35    ILE      N     -0.740       0.125  8.00
   35    ILE      C    36    THR      N      1.270       0.125  8.00
   36    THR      C    37    ILE      N      0.162       0.125  8.00
   37    ILE      C    38    HIS      N      0.034       0.125  8.00
   38    HIS      C    39    ASP      N     -0.260       0.125  8.00
#   39    ASP      C    40    ARG      N      0.498       0.125  8.00
#   40    ARG      C    41    LYS      N      0.122       0.125  8.00
#   41    LYS      C    42    GLU      N     -0.146       0.125  8.00
#   42    GLU      C    43    PHE      N      0.132       0.125  8.00



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