NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
13778 1vmc cing 1-original 8 XPLOR/CNS chemical shift



  !!    S1
  !!    D2
  !!    G3
 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 )      45.4729 $noexpectation
  !!    K4
 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 )      54.2855 32.5636
  !!    P5
 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 )             63.2808 32.1023
  !!    V6
 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 )              62.7736 32.8242
  !!    S7
 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 )        58.1912 63.9293
  !!    L8
 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 )        55.5389 42.5217
  !!    S9
 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 )              58.4548 63.9171
  !!    Y10
 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 )        58.1680 38.9721
  !!    R11
 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 )         56.1001 30.8061
  !!    C12
 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 )              53.2586 40.2747
  !!    P13
 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 )          65.0523 32.2804
  !!    c14
 assign (resid 13 and name c ) (resid 14 and name n ) 
        (resid 14 and name ca) (resid 14 and name c )
 (resid 15 and name n )          53.7263 40.5888
  !!    R15
 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 )          57.0077 31.2539
  !!    F16
 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 )         56.0418 41.1939 
  !!    F17
 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 )         55.9334 41.2142
  !!    E18
 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 )          56.1803 31.0036
  !!    S19
assign  (resid 18 and name c ) (resid 19 and name n )
        (resid 19 and name ca) (resid 19 and name c )
        (resid 20 and name n )          59.0939 64.4508 
  !!    H20
 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 )          55.4034 28.0857
  !!    V21
 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 )          61.3079 34.3437
  !!    A22
 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 )                 50.6814 19.99
  !!    R23
 assign (resid 22 and name c ) (resid 23 and name n )
        (resid 23 and name ca) (resid 23 and name c )
 (resid 24 and name n )                58.9991 29.1058
  !!    A24
 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 )        53.7792 18.70
  !!    N25
 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 )        53.0298 40.5130
  !!    V26
 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 )         62.1372 33.9013
  !!    K27
 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 )          56.1274 35.1332
  !!    H28
 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 )         55.8678 31.2473
  !!    L29
 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 )         55.2453 45.2820
  !!    K30
 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 )         55.4311 36.2564
  !!    I31
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 )         60.5225 38.9390
  !!    L32
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 )         54.1449 43.5877
  !!    N33
 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 )         52.4267 39.2802
  !!    T34
 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 )         59.7316 70.2214 
  !!    P35
 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 )         64.6207 32.1086
  !!    N36
 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 )         54.9063 38.2615
  !!    C37
 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 )       54.9316 44.7601
  !!    A38
 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 )         52.5381 18.98
  !!    L39
 assign (resid 38 and name c ) (resid 39 and name n )
        (resid 39 and name ca) (resid 39 and name c )
        (resid 40 and name n )         56.5639 42.4675
  !!    Q40
 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 )         54.1687 32.2798
  !!    I41
 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 )        60.5116 38.8620
  !!    V42
 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 )         60.3245 34.9925
  !!    A43
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 )          50.2511 23.7040
  !!    R44
 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 )         53.8516 32.4571
  !!    L45
 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 )          54.2738 41.6449
  !!    K46
 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 )          59.2909 33.3987
  !!    N47
 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 )          55.6917 37.5714 
  !!    N48
 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 )          52.9444 39.4249
  !!    N49
 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 )         54.6095 39.2260
  !!    R50
 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 )          56.9618 31.8415 
  !!    Q51
 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 )          55.7925 30.7729
  !!    V52
 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 )         59.3035 35.7899
  !!    C53
 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 )         56.2013 45.3008 
  !!    I54
 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 )          59.6765 39.4804
  !!    D55
 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 )         51.6126 42.5267
  !!    P56
 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 )          63.6898 32.2176
  !!    K57
 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 )          56.1832 31.8193 
  !!    L58
 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 )          55.8905 41.8344
  !!    K59
 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 )          60.2241 32.2222
  !!    W60
 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 )          58.3973 27.9108
  !!    I61
 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 )          61.3731 36.1334
  !!    Q62
 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 )         59.6786 28.0416
  !!    E63
 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 )          59.3618 30.0138
  !!    Y64
 assign (resid 63 and name c ) (resid 64 and name n ) 
        (resid 64 and name ca) (resid 64 and name c )
 (resid 65 and name n )          61.1789 39.0400
  !!    L65
 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 )         57.8271 41.9870
  !!    E66
 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 )          59.1545 29.8348
  !!    K67
 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 )          57.8280 32.7521
  !!    A68
 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 )          53.8025 19.2440
  !!    L69
 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 )         55.7879 42.5442
  !!    N70
 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 )          53.6928 39.3495



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