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
628350 5ukz 30238 cing 1-original 1 STAR chemical shift


# Restraints file 1: PediocinPA1_M31L_CS_F0XBHLz.txt
_Assigned_chem_shift_list.Polymer_seq_one_letter_code KYYGNGVTCGKHSCSVDWGKATTCIINNGALAWATGGHQGNHKC

loop_
    _Atom_chem_shift.ID
    _Atom_chem_shift.Comp_index_ID
    _Atom_chem_shift.Comp_ID
    _Atom_chem_shift.Atom_ID
    _Atom_chem_shift.Val
    _Atom_chem_shift.Entity_ID

	 8    2    TYR    HA    4.679   1
   213    2    TYR    H     8.408   1 
	 9    2    TYR    HB2   2.947   1
	10    2    TYR    HB3   2.947   1
	11    2    TYR    HD1   7.112   1
	12    2    TYR    HD2   7.112   1
	13    2    TYR    HE1   6.795   1
	14    2    TYR    HE2   6.795   1
	15    3    TYR    HA    4.525   1
   214    3    TYR    H     8.030   1
	16    3    TYR    HB2   3.048   1
	17    3    TYR    HB3   2.777   1
	18    3    TYR    HD1   7.067   1
	19    3    TYR    HD2   7.067   1
	20    3    TYR    HE1   6.787   1
	21    3    TYR    HE2   6.787   1
   215    4    GLY    H     7.003   1
	22    4    GLY    HA2   3.978   1
	23    4    GLY    HA3   3.765   1
    24    5    ASN    HA    4.683   1
   216    5    ASN    H     8.089   1
    25    5    ASN    HB2   2.834   1
    26    5    ASN    HB3   2.834   1
    27    5    ASN    HD21  7.320   1
    28    5    ASN    HD22  6.585   1
   217    6    GLY    H     8.281   1
	29    6    GLY    HA2   4.034   1
	30    6    GLY    HA3   3.894   1
	31    7    VAL    HA    4.272   1
   218    7    VAL    H     7.797   1
	32    7    VAL    HB    2.100   1
	34    7    VAL    HG1   0.908   1
	35    7    VAL    HG2   0.908   1
	37    8    THR    HA    4.594   1
   219    8    THR    H     8.173   1
	38    8    THR    HB    4.179   1
	40    8    THR    HG2   1.187   1
	42    9    CYS    HA    4.989   1
   220    9    CYS    H     8.387   1
	43    9    CYS    HB2   3.156   1
	44    9    CYS    HB3   2.975   1
   221    10   GLY    H     8.323   1
	45    10   GLY    HA2   4.040   1
	46    10   GLY    HA3   3.917   1
	47    11   LYS    HA    4.165   1
   222    11   LYS    H     8.265   1
	48    11   LYS    HB2   1.792   1
	49    11   LYS    HB3   1.792   1
	50    11   LYS    HG2   1.397   1
	51    11   LYS    HG3   1.397   1
	52    11   LYS    HD2   1.690   1
	53    11   LYS    HD3   1.690   1
	54    11   LYS    HE2   2.983   1
	55    11   LYS    HE3   2.983   1
	56    12   HIS    HA    4.612   1
   223    12   HIS    H     8.184   1
	57    12   HIS    HB2   3.360   1
	58    12   HIS    HB3   3.221   1
	59    12   HIS    HD2   7.294   1
	60    12   HIS    HE1   8.500   1
	61    13   SER    HA    4.544   1
   224    13   SER    H     7.913   1
	62    13   SER    HB2   3.967   1
	63    13   SER    HB3   3.967   1
	64    14   CYS    HA    5.029   1
   225    14   CYS    H     8.488   1
	65    14   CYS    HB2   3.118   1
	66    14   CYS    HB3   2.965   1
	67    15   SER    HA    4.501   1
   226    15   SER    H     8.423   1
	68    15   SER    HB2   3.857   1
	69    15   SER    HB3   3.857   1
   227    16   VAL    H     8.085   1
	71    16   VAL    HB    1.921   1
	73    16   VAL    HG1   0.907   1
	74    16   VAL    HG2   0.803   1
	76    17   ASP    HA    4.455   1
   228    17   ASP    H     8.000   1
	77    17   ASP    HB2   3.233   1
	78    17   ASP    HB3   3.233   1
	79    18   TRP    HA    4.479   1
   229    18   TRP    H     7.964   1
	79    18   TRP    HB2   3.366   1
	79    18   TRP    HB3   3.257   1
	80    18   TRP    HD1   7.230   1
	81    18   TRP    HE3   7.521   1
	82    18   TRP    HZ2   7.406   1
	83    18   TRP    HZ3   7.058   1
	84    18   TRP    HH2   7.156   1
   256    18   TRP    HE1   9.690   1
   230    19   GLY    H     8.370   1
	85    19   GLY    HA2   3.910   1
	86    19   GLY    HA3   3.809   1
	87    20   LYS    HA    4.211   1
   231    20   LYS    H     7.876   1	
	88    20   LYS    HB2   1.690   1
	89    20   LYS    HB3   1.690   1
	90    20   LYS    HG2   1.411   1
	91    20   LYS    HG3   1.411   1
	92    20   LYS    HD2   1.584   1
	93    20   LYS    HD3   1.584   1
	96    21   ALA    HA    4.111   1
   232    21   ALA    H     7.941   1
	97    21   ALA    HB    1.425   1
   100    22   THR    HA    4.380   1
   233    22   THR    H     7.800   1
   101    22   THR    HB    4.020   1
   103    22   THR    HG2   1.250   1
   127    27   ASN    HA    4.688   1
   238    27   ASN    H     8.127   1
   128    27   ASN    HB2   2.839   1
   129    27   ASN    HB3   2.839   1
   130    27   ASN    HD21  7.352   1
   131    27   ASN    HD22  6.793   1
   132    28   ASN    HA    4.674   1
   239    28   ASN    H     8.135   1
   133    28   ASN    HB2   2.862   1
   134    28   ASN    HB3   2.682   1
   135    28   ASN    HD21  7.259   1
   136    28   ASN    HD22  6.558   1
   240    29   GLY    H     8.243   1
   137    29   GLY    HA2   3.945   1
   138    29   GLY    HA3   3.945   1
   139    30   ALA    HA    4.203   1
   241    30   ALA    H     8.116   1
   140    30   ALA    HB    1.485   1
   143    31   LEU    HA    4.090   1
   242    31   LEU    H     7.810   1
   144    31   LEU    HB2   1.770   1
   145    31   LEU    HB3   1.770   1
   147    31   LEU    HD1   0.810   1
   152    31   LEU    HD2   0.570   1
   153    32   ALA    HA    4.130   1
   243    32   ALA    H     8.125   1
   154    32   ALA    HB    1.429   1
   157    33   TRP    HA    4.412   1
   244    33   TRP    H     7.838   1
   158    33   TRP    HB2   3.391   1
   159    33   TRP    HB3   3.391   1
   160    33   TRP    HD1   7.237   1
   161    33   TRP    HE3   7.575   1
   162    33   TRP    HZ2   7.410   1
   163    33   TRP    HZ3   7.097   1
   164    33   TRP    HH2   7.168   1
   257    33   TRP    HE1   9.670   1
   165    34   ALA    HA    4.079   1
   245    34   ALA    H     8.110   1
   166    34   ALA    HB    1.390   1
   169    35   THR    HA    4.540   1
   246    35   THR    H     7.960   1
   170    35   THR    HB    4.180   1
   172    35   THR    HG2   1.160   1
   248    37   GLY    H     8.515   1
   176    37   GLY    HA2   3.936   1
   177    37   GLY    HA3   3.741   1
   178    38   HIS    HA    4.697   1
   249    38   HIS    H     7.946   1
   179    38   HIS    HB2   3.319   1
   180    38   HIS    HB3   3.140   1
   181    38   HIS    HD2   7.946   1
   182    38   HIS    HE1   8.510   1
   183    39   GLN    HA    4.396   1
   250    39   GLN    H     8.350   1
   184    39   GLN    HB2   2.376   1
   185    39   GLN    HB3   2.128   1
   186    39   GLN    HG2   1.979   1
   187    39   GLN    HG3   1.979   1
   251    40   GLY    H     8.200   1
   188    40   GLY    HA2   3.930   1
   189    40   GLY    HA3   3.930   1
   190    41   ASN    HA    4.598   1
   252    41   ASN    H     8.132   1
   191    41   ASN    HB2   2.758   1
   192    41   ASN    HB3   2.758   1
   193    41   ASN    HD21  7.333   1
   194    41   ASN    HD22  6.631   1
   195    42   HIS    HA    4.758   1
   253    42   HIS    H     8.300   1
   196    42   HIS    HB2   3.289   1
   197    42   HIS    HB3   3.152   1
   198    42   HIS    HD2   7.287   1
   199    42   HIS    HE1   8.527   1
   200    43   LYS    HA    4.361   1
   254    43   LYS    H     8.152   1
   201    43   LYS    HB2   1.853   1
   202    43   LYS    HB3   1.853   1
   203    43   LYS    HG2   1.439   1
   204    43   LYS    HG3   1.439   1
   205    43   LYS    HD2   1.745   1
   206    43   LYS    HD3   1.745   1
   207    43   LYS    HE2   2.992   1
   208    43   LYS    HE3   2.992   1
   209    44   CYS    HA    4.538   1
   255    44   CYS    H     7.920   1
   211    44   CYS    HB2   3.295   1
   212    44   CYS    HB3   3.004   1


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