NMR Restraints Grid

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

image mrblock_id pdb_id cing in_recoord in_dress stage position program type
4551 1fad cing recoord dress 1-original 5 XPLOR/CNS chemical shift


!! chemical shifts
assign (resid   2 and name c ) (resid   3 and name n )
       (resid   3 and name ca) (resid   3 and name c )
       (resid   4 and name n )                            61.4   30.9
assign (resid   3 and name c ) (resid   4 and name n )
       (resid   4 and name ca) (resid   4 and name c )
       (resid   5 and name n )                            64.0   32.1
assign (resid   4 and name c ) (resid   5 and name n )
       (resid   5 and name ca) (resid   5 and name c )
       (resid   6 and name n )                            45.6   0.00
assign (resid   5 and name c ) (resid   6 and name n )
       (resid   6 and name ca) (resid   6 and name c )
       (resid   7 and name n )                            56.7   28.6
assign (resid   6 and name c ) (resid   7 and name n )
       (resid   7 and name ca) (resid   7 and name c )
       (resid   8 and name n )                            53.8   18.4
assign (resid   7 and name c ) (resid   8 and name n )
       (resid   8 and name ca) (resid   8 and name c )
       (resid   9 and name n )                            59.1   37.5
assign (resid   8 and name c ) (resid   9 and name n )
       (resid   9 and name ca) (resid   9 and name c )
       (resid  10 and name n )                            57.8   41.4
assign (resid   9 and name c ) (resid   10 and name n )
       (resid  10 and name ca) (resid   10 and name c )
       (resid  11 and name n )                            59.0   28.2
assign (resid  10 and name c ) (resid   11 and name n )
       (resid  11 and name ca) (resid   11 and name c )
       (resid  12 and name n )                            66.4   31.8
assign (resid  11 and name c ) (resid   12 and name n )
       (resid  12 and name ca) (resid   12 and name c )
       (resid  13 and name n )                            55.3   19.0
assign (resid  12 and name c ) (resid   13 and name n )
       (resid  13 and name ca) (resid   13 and name c )
       (resid  14 and name n )                            58.2   36.5
assign (resid  14 and name c ) (resid   15 and name n )
       (resid  15 and name ca) (resid   15 and name c )
       (resid  16 and name n )                            65.4   38.2
assign (resid  15 and name c ) (resid   16 and name n )
       (resid  16 and name ca) (resid   16 and name c )
       (resid  17 and name n )                            67.9   31.1
assign (resid  16 and name c ) (resid   17 and name n )
       (resid  17 and name ca) (resid   17 and name c )
       (resid  18 and name n )                            63.9   26.6
assign (resid  17 and name c ) (resid   18 and name n )
       (resid  18 and name ca) (resid   18 and name c )
       (resid  19 and name n )                            54.1   38.6
assign (resid  19 and name c ) (resid   20 and name n )
       (resid  20 and name ca) (resid   20 and name c )
       (resid  21 and name n )                            64.1   32.4
assign (resid  20 and name c ) (resid   21 and name n )
       (resid  21 and name ca) (resid   21 and name c )
       (resid  22 and name n )                            46.7   0.00
assign (resid  21 and name c ) (resid   22 and name n )
       (resid  22 and name ca) (resid   22 and name c )
       (resid  23 and name n )                            58.7   30.2
assign (resid  23 and name c ) (resid   24 and name n )
       (resid  24 and name ca) (resid   24 and name c )
       (resid  25 and name n )                            60.6   27.5
assign (resid  24 and name c ) (resid   25 and name n )
       (resid  25 and name ca) (resid   25 and name c )
       (resid  26 and name n )                            60.0   31.0
assign (resid  25 and name c ) (resid   26 and name n )
       (resid  26 and name ca) (resid   26 and name c )
       (resid  27 and name n )                            58.8   29.9
assign (resid  26 and name c ) (resid   27 and name n )
       (resid  27 and name ca) (resid   27 and name c )
       (resid  28 and name n )                            57.4   40.9
assign (resid  27 and name c ) (resid   28 and name n )
       (resid  28 and name ca) (resid   28 and name c )
       (resid  29 and name n )                            55.7   17.2
assign (resid  28 and name c ) (resid   29 and name n )
       (resid  29 and name ca) (resid   29 and name c )
       (resid  30 and name n )                            59.2   30.0
assign (resid  29 and name c ) (resid   30 and name n )
       (resid  30 and name ca) (resid   30 and name c )
       (resid  31 and name n )                            57.5   28.1
assign (resid  30 and name c ) (resid   31 and name n )
       (resid  31 and name ca) (resid   31 and name c )
       (resid  32 and name n )                            54.6   40.2
assign (resid  31 and name c ) (resid   32 and name n )
       (resid  32 and name ca) (resid   32 and name c )
       (resid  33 and name n )                            57.2   28.3
assign (resid  32 and name c ) (resid   33 and name n )
       (resid  33 and name ca) (resid   33 and name c )
       (resid  34 and name n )                            63.5   31.1
assign (resid  33 and name c ) (resid   34 and name n )
       (resid  34 and name ca) (resid   34 and name c )
       (resid  35 and name n )                            58.1   64.8
assign (resid  34 and name c ) (resid   35 and name n )
       (resid  35 and name ca) (resid   35 and name c )
       (resid  36 and name n )                            57.7   27.7
assign (resid  35 and name c ) (resid   36 and name n )
       (resid  36 and name ca) (resid   36 and name c )
       (resid  37 and name n )                            55.2   18.3
assign (resid  36 and name c ) (resid   37 and name n )
       (resid  37 and name ca) (resid   37 and name c )
       (resid  38 and name n )                            58.3   31.7
assign (resid  37 and name c ) (resid   38 and name n )
       (resid  38 and name ca) (resid   38 and name c )
       (resid  39 and name n )                            60.6   33.1
assign (resid  39 and name c ) (resid   40 and name n )
       (resid  40 and name ca) (resid   40 and name c )
       (resid  41 and name n )                            46.7   0.00
assign (resid  40 and name c ) (resid   41 and name n )
       (resid  41 and name ca) (resid   41 and name c )
       (resid  42 and name n )                            66.1   38.4
assign (resid  41 and name c ) (resid   42 and name n )
       (resid  42 and name ca) (resid   42 and name c )
       (resid  43 and name n )                            60.0   29.7
assign (resid  42 and name c ) (resid   43 and name n )
       (resid  43 and name ca) (resid   43 and name c )
       (resid  44 and name n )                            57.7   29.0
assign (resid  43 and name c ) (resid   44 and name n )
       (resid  44 and name ca) (resid   44 and name c )
       (resid  45 and name n )                            58.0   33.4
assign (resid  44 and name c ) (resid   45 and name n )
       (resid  45 and name ca) (resid   45 and name c )
       (resid  46 and name n )                            55.0   38.0
assign (resid  45 and name c ) (resid   46 and name n )
       (resid  46 and name ca) (resid   46 and name c )
       (resid  47 and name n )                            64.9   33.0
assign (resid  46 and name c ) (resid   47 and name n )
       (resid  47 and name ca) (resid   47 and name c )
       (resid  48 and name n )                            56.4   32.0
assign (resid  47 and name c ) (resid   48 and name n )
       (resid  48 and name ca) (resid   48 and name c )
       (resid  49 and name n )                            56.3   62.9
assign (resid  48 and name c ) (resid   49 and name n )
       (resid  49 and name ca) (resid   49 and name c )
       (resid  50 and name n )                            58.1   42.2
assign (resid  49 and name c ) (resid   50 and name n )
       (resid  50 and name ca) (resid   50 and name c )
       (resid  51 and name n )                            61.5   62.7
assign (resid  50 and name c ) (resid   51 and name n )
       (resid  51 and name ca) (resid   51 and name c )
       (resid  52 and name n )                            58.2   28.4
assign (resid  51 and name c ) (resid   52 and name n )
       (resid  52 and name ca) (resid   52 and name c )
       (resid  53 and name n )                            58.9   28.1
assign (resid  52 and name c ) (resid   53 and name n )
       (resid  53 and name ca) (resid   53 and name c )
       (resid  54 and name n )                            65.9   31.5
assign (resid  53 and name c ) (resid   54 and name n )
       (resid  54 and name ca) (resid   54 and name c )
       (resid  55 and name n )                            60.1   29.6
assign (resid  54 and name c ) (resid   55 and name n )
       (resid  55 and name ca) (resid   55 and name c )
       (resid  56 and name n )                            59.0   29.3
assign (resid  55 and name c ) (resid   56 and name n )
       (resid  56 and name ca) (resid   56 and name c )
       (resid  57 and name n )                            58.1   63.2
assign (resid  56 and name c ) (resid   57 and name n )
       (resid  57 and name ca) (resid   57 and name c )
       (resid  58 and name n )                            57.2   41.5
assign (resid  57 and name c ) (resid   58 and name n )
       (resid  58 and name ca) (resid   58 and name c )
       (resid  59 and name n )                            60.3   32.5
assign (resid  58 and name c ) (resid   59 and name n )
       (resid  59 and name ca) (resid   59 and name c )
       (resid  60 and name n )                            66.2   31.1
assign (resid  59 and name c ) (resid   60 and name n )
       (resid  60 and name ca) (resid   60 and name c )
       (resid  61 and name n )                            60.9   28.6
assign (resid  60 and name c ) (resid   61 and name n )
       (resid  61 and name ca) (resid   61 and name c )
       (resid  62 and name n )                            59.0   32.2
assign (resid  61 and name c ) (resid   62 and name n )
       (resid  62 and name ca) (resid   62 and name c )
       (resid  63 and name n )                            55.1   38.3
assign (resid  62 and name c ) (resid   63 and name n )
       (resid  63 and name ca) (resid   63 and name c )
       (resid  64 and name n )                            55.3   17.9
assign (resid  64 and name c ) (resid   65 and name n )
       (resid  65 and name ca) (resid   65 and name c )
       (resid  66 and name n )                            57.3   38.5
assign (resid  65 and name c ) (resid   66 and name n )
       (resid  66 and name ca) (resid   66 and name c )
       (resid  67 and name n )                            58.4   32.0
assign (resid  66 and name c ) (resid   67 and name n )
       (resid  67 and name ca) (resid   67 and name c )
       (resid  68 and name n )                            53.7   38.9
assign (resid  67 and name c ) (resid   68 and name n )
       (resid  68 and name ca) (resid   68 and name c )
       (resid  69 and name n )                            52.7   17.5
assign (resid  68 and name c ) (resid   69 and name n )
       (resid  69 and name ca) (resid   69 and name c )
       (resid  70 and name n )                            56.1   66.9
assign (resid  69 and name c ) (resid   70 and name n )
       (resid  70 and name ca) (resid   70 and name c )
       (resid  71 and name n )                            67.7   31.0
assign (resid  70 and name c ) (resid   71 and name n )
       (resid  71 and name ca) (resid   71 and name c )
       (resid  72 and name n )                            55.5   18.1
assign (resid  71 and name c ) (resid   72 and name n )
       (resid  72 and name ca) (resid   72 and name c )
       (resid  73 and name n )                            45.6   0.00
assign (resid  72 and name c ) (resid   73 and name n )
       (resid  73 and name ca) (resid   73 and name c )
       (resid  74 and name n )                            56.7   42.1
assign (resid  73 and name c ) (resid   74 and name n )
       (resid  74 and name ca) (resid   74 and name c )
       (resid  75 and name n )                            67.8   31.0
assign (resid  74 and name c ) (resid   75 and name n )
       (resid  75 and name ca) (resid   75 and name c )
       (resid  76 and name n )                            60.0   32.0
assign (resid  75 and name c ) (resid   76 and name n )
       (resid  76 and name ca) (resid   76 and name c )
       (resid  77 and name n )                            55.5   18.4
assign (resid  76 and name c ) (resid   77 and name n )
       (resid  77 and name ca) (resid   77 and name c )
       (resid  78 and name n )                            58.0   42.5
assign (resid  80 and name c ) (resid   81 and name n )
       (resid  81 and name ca) (resid   81 and name c )
       (resid  82 and name n )                            57.3   27.2
assign (resid  81 and name c ) (resid   82 and name n )
       (resid  82 and name ca) (resid   82 and name c )
       (resid  83 and name n )                            53.4   39.0
assign (resid  82 and name c ) (resid   83 and name n )
       (resid  83 and name ca) (resid   83 and name c )
       (resid  84 and name n )                            57.3   38.8
assign (resid  83 and name c ) (resid   84 and name n )
       (resid  84 and name ca) (resid   84 and name c )
       (resid  85 and name n )                            58.4   40.5
assign (resid  84 and name c ) (resid   85 and name n )
       (resid  85 and name ca) (resid   85 and name c )
       (resid  86 and name n )                            66.3   30.8
assign (resid  85 and name c ) (resid   86 and name n )
       (resid  86 and name ca) (resid   86 and name c )
       (resid  87 and name n )                            55.5   18.1
assign (resid  86 and name c ) (resid   87 and name n )
       (resid  87 and name ca) (resid   87 and name c )
       (resid  88 and name n )                            55.6   39.8
assign (resid  87 and name c ) (resid   88 and name n )
       (resid  88 and name ca) (resid   88 and name c )
       (resid  89 and name n )                            58.1   42.2
assign (resid  88 and name c ) (resid   89 and name n )
       (resid  89 and name ca) (resid   89 and name c )
       (resid  90 and name n )                            67.0   31.2
assign (resid  89 and name c ) (resid   90 and name n )
       (resid  90 and name ca) (resid   90 and name c )
       (resid  91 and name n )                            58.9   28.3
assign (resid  90 and name c ) (resid   91 and name n )
       (resid  91 and name ca) (resid   91 and name c )
       (resid  92 and name n )                            58.2   28.0
assign (resid  91 and name c ) (resid   92 and name n )
       (resid  92 and name ca) (resid   92 and name c )
       (resid  93 and name n )                            53.4   18.6
assign (resid  92 and name c ) (resid   93 and name n )
       (resid  93 and name ca) (resid   93 and name c )
       (resid  94 and name n )                            56.3   28.8



Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Friday, April 19, 2024 7:53:02 PM GMT (wattos1)