NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
27873 2stt cing 1-original 8 XPLOR/CNS dihedral angle


!remark phi angle constraints
  !!	A2
 assign (resid  1  and name c ) (resid  2  and name n )
        (resid  2  and name ca) (resid  2  and name c )  1.0 -68.0 30.0 2
  !!	D3
 assign (resid  2  and name c ) (resid  3  and name n )
        (resid  3  and name ca) (resid  3  and name c )  1.0 -145.0 30.0 2
  !!    L4
 assign (resid  3  and name c ) (resid  4  and name n )
        (resid  4  and name ca) (resid  4  and name c )  1.0 -80.0 30.0 2
  !!    N5
 assign (resid  4  and name c ) (resid  5  and name n )
        (resid  5  and name ca) (resid  5  and name c )  1.0 -105.0 30.0 2
  !!    K6
 assign (resid  5  and name c ) (resid  6  and name n )
        (resid  6  and name ca) (resid  6  and name c )  1.0 -85.0 30.0 2
  !!    D7
 assign (resid  6  and name c ) (resid  7  and name n )
        (resid  7  and name ca) (resid  7  and name c )  1.0 -95.0 30.0 2
  !!    K8
 assign (resid  7  and name c ) (resid  8  and name n )
        (resid  8  and name ca) (resid  8  and name c )  1.0 -145.0 30.0 2
  !!    V10
 assign (resid  9  and name c ) (resid  10  and name n )
        (resid  10  and name ca) (resid  10  and name c )  1.0 -90.0 85.0 2

  !!    I11
 assign (resid  10  and name c ) (resid  11  and name n )
        (resid  11  and name ca) (resid  11  and name c )  1.0 -135.0 30.0 2
  !!    P12
 assign (resid  11  and name c ) (resid  12  and name n )
        (resid  12  and name ca) (resid  12  and name c )  1.0 -60.0 30.0 2
  !!    A13
 assign (resid  12  and name c ) (resid  13  and name n )
        (resid  13  and name ca) (resid  13  and name c )  1.0 -80.0 30.0 2

  !!    A14
 assign (resid  13  and name c ) (resid  14  and name n )
        (resid  14  and name ca) (resid  14  and name c )  1.0 -60.0 30.0 2
 {possible + phi}
 !!    A15
 assign (resid  14  and name c ) (resid  15  and name n )
        (resid  15  and name ca) (resid  15  and name c )  1.0 -85.0 30.0 2
  !!    L16
 assign (resid  15  and name c ) (resid  16  and name n )
        (resid  16  and name ca) (resid  16  and name c )  1.0 -85.0 30.0 2
  !!    A17
 assign (resid  16  and name c ) (resid  17  and name n )
        (resid  17  and name ca) (resid  17  and name c )  1.0 -80.0 30.0 2
  !!    G18
 assign (resid  17  and name c ) (resid  18  and name n )
        (resid  18  and name ca) (resid  18  and name c )  1.0 70.0 30.0 2
  !!    Y19
 assign (resid  18  and name c ) (resid  19  and name n )
        (resid  19  and name ca) (resid  19  and name c )  1.0 -75.0 30.0 2
  !!    T20
 assign (resid  19  and name c ) (resid  20  and name n )
        (resid  20  and name ca) (resid  20  and name c )  1.0 -95.0 30.0 2
  !!    G21
 assign (resid  20  and name c ) (resid  21  and name n )
        (resid  21  and name ca) (resid  21  and name c )  1.0 -60.0 30.0 2

  !!    S22
   !!    G23
 assign (resid 22 and name c ) (resid 23 and name n )
        (resid 23 and name ca) (resid 23 and name c )   1.0  60.0 30.0 2
  !!    P24
 assign (resid 23 and name c ) (resid 24 and name n )
        (resid 24 and name ca) (resid 24 and name c )  1.0  -60.0 30.0 2
  !!    I25
 assign (resid 24 and name c ) (resid 25 and name n )
        (resid 25 and name ca) (resid 25 and name c )   1.0  -75.0 30.0 2
  !!    Q26
 assign (resid  25  and name c ) (resid  26  and name n )
        (resid  26  and name ca) (resid  26  and name c )  1.0 -85.0 30.0 2
  !!    L27
 assign (resid  26  and name c ) (resid  27  and name n )
        (resid  27  and name ca) (resid  27  and name c )  1.0 -70.0 30.0 2

  !!    W28
 assign (resid  27  and name c ) (resid  28  and name n )
        (resid  28  and name ca) (resid  28  and name c )  1.0 -60.0 30.0 2
  {ca only, cb odd}
  !!    Q29
 assign (resid  28  and name c ) (resid  29  and name n )
        (resid  29  and name ca) (resid  29  and name c )  1.0 -50.0 30.0 2
  {shifts only, no Cb shift known}
   !!    F30
assign (resid  29  and name c ) (resid  30  and name n )
       (resid  30  and name ca) (resid  30  and name c )  1.0 -45.0 30.0 2

  !!    L31
 assign (resid  30  and name c ) (resid  31  and name n )
        (resid  31  and name ca) (resid  31  and name c )  1.0 -45.0 30.0 2

 !!    L32
 assign (resid  31  and name c ) (resid  32  and name n )
        (resid  32  and name ca) (resid  32  and name c )  1.0 -65.0 30.0 2
  !!    E33
 assign (resid  32  and name c ) (resid  33  and name n )
        (resid  33  and name ca) (resid  33  and name c )  1.0 -45.0 30.0 2

 !!	L34
 assign (resid 33 and name c ) (resid 34 and name n )
        (resid 34 and name ca) (resid 34 and name c )   1.0  -45.0 30.0 2

  !!    L35
 assign (resid 34 and name c ) (resid 35 and name n )
        (resid 35 and name ca) (resid 35 and name c )   1.0  -65.0 30.0 2

  !!    T36
 assign (resid 35 and name c ) (resid 36 and name n )
        (resid 36 and name ca) (resid 36 and name c )   1.0  -100.0 30.0 2

  !!    D37
 assign (resid 36 and name c ) (resid 37 and name n )
        (resid 37 and name ca) (resid 37 and name c )   1.0  -105.0 30.0 2
  !!    K38
 assign (resid 37 and name c ) (resid 38 and name n )
        (resid 38 and name ca) (resid 38 and name c )   1.0  -85.0 30.0 2

  !!    S39
 assign (resid 38 and name c ) (resid 39 and name n )
        (resid 39 and name ca) (resid 39 and name c )   1.0  -75.0 30.0 2
  !!    C40

  !!    Q41
 assign (resid 40 and name c ) (resid 41 and name n )
        (resid 41 and name ca) (resid 41 and name c )   1.0  -75.0 20.0 2

  !!    S42
   !!    F43
 assign (resid 42 and name c ) (resid 43 and name n )
        (resid 43 and name ca) (resid 43 and name c )   1.0  -120.0 30.0 2
  !!    I44
 assign (resid 43 and name c ) (resid 44 and name n )
        (resid 44 and name ca) (resid 44 and name c )   1.0  -165.0 30.0 2
  !!    S45
 assign (resid 44 and name c ) (resid 45 and name n )
        (resid 45 and name ca) (resid 45 and name c )   1.0  -145.0 30.0 2
  !!    W46
 assign (resid  45  and name c ) (resid  46  and name n )
        (resid  46 and name ca) (resid  46  and name c )  1.0 -85.0 30.0 2

  !!    T47
 assign (resid 46 and name c ) (resid 47 and name n )
        (resid 47 and name ca) (resid 47 and name c )   1.0  -65.0 30.0 2

  !!    G48
 assign (resid 47 and name c ) (resid 48 and name n )
        (resid 48 and name ca) (resid 48 and name c )   1.0  -85.0 30.0 2

  !!    D49
 assign (resid 48 and name c ) (resid 49 and name n )
        (resid 49 and name ca) (resid 49 and name c )   1.0  -120.0 30.0 2
  !!    G50
 assign (resid 49 and name c ) (resid 50 and name n )
        (resid 50 and name ca) (resid 50 and name c )   1.0  -85.0 30.0 2
  !!    W51
 assign (resid 50 and name c ) (resid 51 and name n )
        (resid 51 and name ca) (resid 51 and name c )   1.0  -170.0 30.0 2

  !!   E52
 assign (resid 51 and name c ) (resid 52 and name n )
        (resid 52 and name ca) (resid 52 and name c )   1.0  -130.0 30.0 2
  {cb shift odd}
  !!    F53

  !!    K54
 assign (resid 53 and name c ) (resid 54 and name n )
        (resid 54 and name ca) (resid 54 and name c )   1.0  -130.0 30.0 2

  !!    L55
 assign (resid 54 and name c ) (resid 55 and name n )
        (resid 55 and name ca) (resid 55 and name c )   1.0  -85.0 30.0 2
  !!    S56
 assign (resid 55 and name c ) (resid 56 and name n )
        (resid 56 and name ca) (resid 56 and name c )   1.0  -75.0 30.0 2
  !!    D57
 assign (resid 56 and name c ) (resid 57 and name n )
        (resid 57 and name ca) (resid 57 and name c )   1.0  -120.0 30.0 2
  !!    P58
 assign (resid 57 and name c ) (resid 58 and name n )
        (resid 58 and name ca) (resid 58 and name c )   1.0  -65.0 30.0 2
  !!    D59
 assign (resid 58 and name c ) (resid 59 and name n )
        (resid 59 and name ca) (resid 59 and name c )   1.0  -75.0 30.0 2
  !!    E60
 assign (resid 59 and name c ) (resid 60 and name n )
        (resid 60 and name ca) (resid 60 and name c )  1.0 -60.0 30.0 2

  !!    V61
 assign (resid 60 and name c ) (resid 61 and name n )
        (resid 61 and name ca) (resid 61 and name c )  1.0 -65.0 30.0 2
  !!    A62
 assign (resid 61 and name c ) (resid 62 and name n )
        (resid 62 and name ca) (resid 62 and name c )  1.0 -70.0 30.0 2

  !!    R63
 assign (resid 62 and name c ) (resid 63 and name n )
        (resid 63 and name ca) (resid 63 and name c )  1.0 -60.0 30.0 2
  !!    R64
 assign (resid 63 and name c ) (resid 64 and name n )
        (resid 64 and name ca) (resid 64 and name c )  1.0 -60.0 30.0 2
  !!    W65
 assign (resid 64 and name c ) (resid 65 and name n )
        (resid 65 and name ca) (resid 65 and name c )  1.0 -45.0 30.0 2
  {cb unknown}
  !!    G66
 assign (resid 65 and name c ) (resid 66 and name n )
        (resid 66 and name ca) (resid 66 and name c )  1.0 -90.0 30.0 2

  !!    K67
 assign (resid 66 and name c ) (resid 67 and name n )
        (resid 67 and name ca) (resid 67 and name c )  1.0 -70.0 30.0 2
  !!    R68
 assign (resid 67 and name c ) (resid 68 and name n )
        (resid 68 and name ca) (resid 68 and name c )  1.0 -60.0 30.0 2
  !!    K69
 assign (resid 68 and name c ) (resid 69 and name n )
        (resid 69 and name ca) (resid 69 and name c )  1.0 -120.0 45.0 2
  {shifts odd here}
  !!    N70
   !!    K71
   !!    P72
 assign (resid 71 and name c ) (resid 72 and name n )
        (resid 72 and name ca) (resid 72 and name c )   1.0  -65.0 30.0 2
  !!    K73
 assign (resid 72 and name c ) (resid 73 and name n )
        (resid 73 and name ca) (resid 73 and name c )   1.0  -105.0 30.0 2
  !!    M74
 assign (resid 73 and name c ) (resid 74 and name n )
        (resid 74 and name ca) (resid 74 and name c )   1.0  -100.0 30.0 2
  {shifts only, cb odd}
  !!	N75
 assign (resid 74 and name c ) (resid 75 and name n )
        (resid 75 and name ca) (resid 75 and name c )   1.0  -65.0 30.0 2
  !!	Y76
 assign (resid 75 and name c ) (resid 76 and name n )
        (resid 76 and name ca) (resid 76 and name c )   1.0  -80.0 30.0 2

  !!	E77
 assign (resid 76 and name c ) (resid 77 and name n )
        (resid 77 and name ca) (resid 77 and name c )   1.0  -65.0 30.0 2
  !!	K78
 assign (resid 77 and name c ) (resid 78 and name n )
        (resid 78 and name ca) (resid 78 and name c )   1.0  -55.0 30.0 2
  !!	L79
 assign (resid 78 and name c ) (resid 79 and name n )
        (resid 79 and name ca) (resid 79 and name c )   1.0  -75.0 30.0 2
  {ca,cb unknown, definite helix}
  !!	S80
 assign (resid 79 and name c ) (resid 80 and name n )
        (resid 80 and name ca) (resid 80 and name c )   1.0  -50.0 30.0 2

  !!	R81
 assign (resid 80 and name c ) (resid 81 and name n )
        (resid 81 and name ca) (resid 81 and name c )   1.0  -60.0 40.0 2

  !!	G82
 assign (resid 81 and name c ) (resid 82 and name n )
        (resid 82 and name ca) (resid 82 and name c )   1.0  -60.0 40.0 2

  !!	L83
 assign (resid 82 and name c ) (resid 83 and name n )
        (resid 83 and name ca) (resid 83 and name c )   1.0  -60.0 40.0 2
  {shifts only, odd cb}
  !!	R84
 assign (resid 83 and name c ) (resid 84 and name n )
        (resid 84 and name ca) (resid 84 and name c )   1.0  -60.0 40.0 2

  !!	Y85
 assign (resid 84 and name c ) (resid 85 and name n )
        (resid 85 and name ca) (resid 85 and name c )   1.0  -60.0 40.0 2

  !!	Y86
 assign (resid 85 and name c ) (resid 86 and name n )
        (resid 86 and name ca) (resid 86 and name c )   1.0  -60.0 40.0 2
  !!	Y87
 assign (resid 86 and name c ) (resid 87 and name n )
        (resid 87 and name ca) (resid 87 and name c )   1.0  -90.0 85.0 2

  !!	D88
 assign (resid 87 and name c ) (resid 88 and name n )
        (resid 88 and name ca) (resid 88 and name c )   1.0  -90.0 85.0 2
  !!	K89
 assign (resid 88 and name c ) (resid 89 and name n )
        (resid 89 and name ca) (resid 89 and name c )   1.0  -90.0 85.0 2
  !!	I91
 assign (resid 90 and name c ) (resid 91 and name n )
        (resid 91 and name ca) (resid 91 and name c )   1.0  -90.0 85.0 2
  !!	I92
 assign (resid 91 and name c ) (resid 92 and name n )
        (resid 92 and name ca) (resid 92 and name c )   1.0  -90.0 85.0 2
  !!	H93
 assign (resid 92 and name c ) (resid 93 and name n )
        (resid 93 and name ca) (resid 93 and name c )   1.0  -120.0 30.0 2
  !!	K94
 assign (resid 93 and name c ) (resid 94 and name n )
        (resid 94 and name ca) (resid 94 and name c )   1.0  -95.0 30.0 2

  !!	T95
 assign (resid 94 and name c ) (resid 95 and name n )
        (resid 95 and name ca) (resid 95 and name c )   1.0  -120.0 30.0 2

  !!	A96
 assign (resid 95 and name c ) (resid 96 and name n )
        (resid 96 and name ca) (resid 96 and name c )   1.0  -100.0 30.0 2

  !!	G97
 assign (resid 96 and name c ) (resid 97 and name n )
        (resid 97 and name ca) (resid 97 and name c )   1.0  -85.0 30.0 2
  !!	K98
 assign (resid 97 and name c ) (resid 98 and name n )
        (resid 98 and name ca) (resid 98 and name c )   1.0  -120.0 30.0 2
  !!	R99
 assign (resid 98 and name c ) (resid 99 and name n )
        (resid 99 and name ca) (resid 99 and name c )   1.0  -90.0 85.0 2

  !!	Y100
 assign (resid 99 and name c ) (resid 100 and name n )
        (resid 100 and name ca) (resid 100 and name c )   1.0  -75.0 30.0 2

  !!	V101
 assign (resid 100 and name c ) (resid 101 and name n )
        (resid 101 and name ca) (resid 101 and name c )   1.0  -95.0 30.0 2
  !!	Y102
 assign (resid 101 and name c ) (resid 102 and name n )
        (resid 102 and name ca) (resid 102 and name c )   1.0  -120.0 30.0 2
  !!	R103
 assign (resid 102 and name c ) (resid 103 and name n )
        (resid 103 and name ca) (resid 103 and name c )   1.0  -150.0 30.0 2
  !!	F104
 assign (resid 103 and name c ) (resid 104 and name n )
        (resid 104 and name ca) (resid 104 and name c )   1.0  -150.0 30.0 2
  !!	V105
 assign (resid 104 and name c ) (resid 105 and name n )
        (resid 105 and name ca) (resid 105 and name c )   1.0  -120.0 30.0 2

!psi restraints

 !!	Q26
 assign (resid 26 and name n ) (resid 26 and name ca )
        (resid 26 and name c) (resid 27 and name n )   1.0  150.0 30.0 2
  !!    N75
 assign (resid 75 and name n ) (resid 75 and name ca )
        (resid 75 and name c) (resid 76 and name n )   1.0  150.0 30.0 2

{  !!	A14
 assign (resid 14 and name n ) (resid 14 and name ca )
        (resid 14 and name c) (resid 15 and name n )   1.0  -30.0 60.0 2
  !!	A15
 assign (resid 15 and name n ) (resid 15 and name ca )
        (resid 15 and name c) (resid 16 and name n )   1.0  -30.0 60.0 2
  !!	A17
 assign (resid 17 and name n ) (resid 17 and name ca )
        (resid 17 and name c) (resid 18 and name n )   1.0  -30.0 60.0 2
 !!	Y19
 assign (resid 19 and name n ) (resid 19 and name ca )
        (resid 19 and name c) (resid 20 and name n )   1.0  110.0 70.0 2
 !!	S22
 assign (resid 22 and name n ) (resid 22 and name ca )
        (resid 22 and name c) (resid 23 and name n )   1.0  120.0 60.0 2
  !!	T36
 assign (resid 36 and name n ) (resid 36 and name ca )
        (resid 36 and name c) (resid 37 and name n )   1.0  -30.0 70.0 2
  !!	K38
 assign (resid 38 and name n ) (resid 38 and name ca )
        (resid 38 and name c) (resid 39 and name n )   1.0  -30.0 70.0 2
  !!	S39
 assign (resid 39 and name n ) (resid 40 and name ca )
        (resid 39 and name c) (resid 40 and name n )   1.0  -30.0 70.0 2
  !!	Q41
 assign (resid 41 and name n ) (resid 41 and name ca )
        (resid 41 and name c) (resid 42 and name n )   1.0  -30.0 60.0 2
  !!	I44
 assign (resid 44 and name n ) (resid 44 and name ca )
        (resid 44 and name c) (resid 45 and name n )   1.0  120.0 60.0 2
  !!	F43
   !!	G50
 assign (resid 50 and name n ) (resid 50 and name ca )
        (resid 50 and name c) (resid 51 and name n )   1.0  -30.0 70.0 2
  !!	K54
 assign (resid 54 and name n ) (resid 54 and name ca )
        (resid 54 and name c) (resid 55 and name n )   1.0  120.0 60.0 2
  !!	D57
   !!	K71
 assign (resid 71 and name n ) (resid 71 and name ca )
        (resid 71 and name c) (resid 72 and name n )   1.0  -30.0 60.0 2
  !!	K73
 assign (resid 73 and name n ) (resid 73 and name ca )
        (resid 73 and name c) (resid 74 and name n )   1.0  -30.0 60.0 2
  !!	M74
 assign (resid 74 and name n ) (resid 74 and name ca )
        (resid 74 and name c) (resid 75 and name n )   1.0  -30.0 60.0 2
  !!    Y76
 assign (resid 76 and name n ) (resid 76 and name ca )
        (resid 76 and name c) (resid 77 and name n )   1.0  -30.0 60.0 2
  !!	Y86
 assign (resid 86 and name n ) (resid 86 and name ca )
        (resid 86 and name c) (resid 87 and name n )   1.0  45.0 45.0 2
  !!	N90
 assign (resid 90 and name n ) (resid 90 and name ca )
        (resid 90 and name c) (resid 91 and name n )   1.0  -30.0 70.0 2
  !!	K98
 assign (resid 98 and name n ) (resid 98 and name ca )
        (resid 98 and name c) (resid 99 and name n )   1.0  -175.0 5.0 2
  !!	Y102
 assign (resid 102 and name n ) (resid 102 and name ca )
        (resid 102 and name c) (resid 103 and name n )   1.0  150.0 30.0 2
  !!	R103
 assign (resid 103 and name n ) (resid 103 and name ca )
        (resid 103 and name c) (resid 104 and name n )   1.0  150.0 30.0 2

}

!chi1 restraints


!Milton note::    chi1/chi2 angles for Leu.
!If chi1 is -60, then chi2 is always 180
!If chi1 is 180, then chi2 is always +60

!chi1/chi2 for Ile:
!    chi1=+60, then chi2 is only 180
!    chi1=180, then chi2 is 180 or +60
!    chi1=-60, then chi2 is -60 or 180.
!for the latter 2, chi2=180 is the more common rotamer.

 !!	W28
assign (resid 28 and name n) (resid 28 and name ca)
       (resid 28 and name cb) (resid 28 and name cg) 1.0 60.0 30.0 2
!!	F30
assign (resid 30 and name n) (resid 30 and name ca)
       (resid 30 and name cb) (resid 30 and name cg) 1.0 180.0 30.0 2
 !!	F43
assign (resid 43 and name n) (resid 43 and name ca)
       (resid 43 and name cb) (resid 43 and name cg) 1.0 -60.0 30.0 2
 !!	W51
assign (resid 51 and name n) (resid 51 and name ca)
       (resid 51 and name cb) (resid 51 and name cg) 1.0 180.0 30.0 2
 !!	W65
assign (resid 65 and name n) (resid 65 and name ca)
       (resid 65 and name cb) (resid 65 and name cg) 1.0 180.0 30.0 2
  !!	Y76
assign (resid 76 and name n) (resid 76 and name ca)
       (resid 76 and name cb) (resid 76 and name cg) 1.0 180.0 30.0 2
  !!	Y85
assign (resid 85 and name n) (resid 85 and name ca)
       (resid 85 and name cb) (resid 85 and name cg) 1.0 180.0 30.0 2
  !!	Y86
assign (resid 86 and name n) (resid 86 and name ca)
       (resid 86 and name cb) (resid 86 and name cg) 1.0 180.0 30.0 2
  !!	Y87
assign (resid 87 and name n) (resid 87 and name ca)
       (resid 87 and name cb) (resid 87 and name cg) 1.0 -60.0 30.0 2
  !!	Y100
assign (resid 100 and name n) (resid 100 and name ca)
       (resid 100 and name cb) (resid 100 and name cg) 1.0 -60.0 30.0 2
  !!	Y102
assign (resid 102 and name n) (resid 102 and name ca)
       (resid 102 and name cb) (resid 102 and name cg) 1.0 -60.0 30.0 2
  !!	F104
assign (resid 104 and name n) (resid 104 and name ca)
       (resid 104 and name cb) (resid 104 and name cg) 1.0 -60.0 30.0 2

!chi2 restraints aromatics

 !!Y19
assign (resid 19 and name ca) (resid 19 and name cb)
       (resid 19 and name cg) (resid 19 and name cd1)  1.0 90.0 20.0 2
 !!W28
assign (resid 28 and name ca) (resid 28 and name cb)
       (resid 28 and name cg) (resid 28 and name cd1)  1.0 -90.0 90.0 2
 !!F30
assign (resid 30 and name ca) (resid 30 and name cb)
       (resid 30 and name cg) (resid 30 and name cd1)  1.0 90.0 30.0 2
 !!F43
assign (resid 43 and name ca) (resid 43 and name cb)
       (resid 43 and name cg) (resid 43 and name cd1)  1.0 90.0 30.0 2
 !!W51
assign (resid 51 and name ca) (resid 51 and name cb)
       (resid 51 and name cg) (resid 51 and name cd1)  1.0 -90.0 90.0 2
 !!F53
assign (resid 53 and name ca) (resid 53 and name cb)
       (resid 53 and name cg) (resid 53 and name cd1)  1.0 90.0 20.0 2
 !!W65
assign (resid 65 and name ca) (resid 65 and name cb)
       (resid 65 and name cg) (resid 65 and name cd1)  1.0 -90.0 90.0 2
 !!Y76
assign (resid 76 and name ca) (resid 76 and name cb)
       (resid 76 and name cg) (resid 76 and name cd1)  1.0 90.0 30.0 2
 !!Y85
assign (resid 85 and name ca) (resid 85 and name cb)
       (resid 85 and name cg) (resid 85 and name cd1)  1.0 90.0 30.0 2
 !!Y86
assign (resid 86 and name ca) (resid 86 and name cb)
       (resid 86 and name cg) (resid 86 and name cd1) 1.0 90.0 30.0 2
 !!Y87
assign (resid 87 and name ca) (resid 87 and name cb)
       (resid 87 and name cg) (resid 87 and name cd1)  1.0 90.0 30.0 2
 !!Y100
assign (resid 100 and name ca) (resid 100 and name cb)
       (resid 100 and name cg) (resid 100 and name cd1)  1.0 90.0 30.0 2
 !!Y102
assign (resid 102 and name ca) (resid 102 and name cb)
       (resid 102 and name cg) (resid 102 and name cd1)  1.0 90.0 30.0 2
 !!F104
assign (resid 104 and name ca) (resid 104 and name cb)
       (resid 104 and name cg) (resid 104 and name cd1)  1.0 90.0 20.0 2



!DNA torsions

!dihedral restraints on epsilon, zeta, alpha and beta.

assign  (resid  201 and name  c4') (resid  201 and name  c3')
        (resid  201 and name  o3') (resid  202 and name   p ) 1.0 -180.0 50.0 2
assign  (resid  201 and name  c3') (resid  201 and name  o3')
        (resid  202 and name   p ) (resid  202 and name  o5') 1.0 -85.0 50.0 2
assign  (resid  201 and name  o3') (resid  202 and name   p )
        (resid  202 and name  o5') (resid  202 and name  c5') 1.0 -60.0  50.0 2
assign  (resid  202 and name   p ) (resid  202 and name  o5')
        (resid  202 and name  c5') (resid  202 and name  c4') 1.0 180.0 50.0 2

assign  (resid  202 and name  c4') (resid  202 and name  c3')
        (resid  202 and name  o3') (resid  203 and name   p ) 1.0 -180.0 50.0 2
assign  (resid  202 and name  c3') (resid  202 and name  o3')
        (resid  203 and name   p ) (resid  203 and name  o5') 1.0 -85.0 50.0 2
assign  (resid  202 and name  o3') (resid  203 and name   p )
        (resid  203 and name  o5') (resid  203 and name  c5') 1.0 -60.0  50.0 2
assign  (resid  203 and name   p ) (resid  203 and name  o5')
        (resid  203 and name  c5') (resid  203 and name  c4') 1.0 180.0 50.0 2

assign  (resid  203 and name  c4') (resid  203 and name  c3')
        (resid  203 and name  o3') (resid  204 and name   p ) 1.0 -180.0 50.0 2
assign  (resid  203 and name  c3') (resid  203 and name  o3')
        (resid  204 and name   p ) (resid  204 and name  o5') 1.0 -85.0 50.0 2
assign  (resid  203 and name  o3') (resid  204 and name   p )
        (resid  204 and name  o5') (resid  204 and name  c5') 1.0 -60.0  50.0 2
assign  (resid  204 and name   p ) (resid  204 and name  o5')
        (resid  204 and name  c5') (resid  204 and name  c4') 1.0 180.0 50.0 2

assign  (resid  204 and name  c4') (resid  204 and name  c3')
        (resid  204 and name  o3') (resid  205 and name   p ) 1.0 -180.0 50.0 2
assign  (resid  204 and name  c3') (resid  204 and name  o3')
        (resid  205 and name   p ) (resid  205 and name  o5') 1.0 -85.0 50.0 2
assign  (resid  204 and name  o3') (resid  205 and name   p )
        (resid  205 and name  o5') (resid  205 and name  c5') 1.0 -60.0  50.0 2
assign  (resid  205 and name   p ) (resid  205 and name  o5')
        (resid  205 and name  c5') (resid  205 and name  c4') 1.0 180.0 50.0 2

assign  (resid  205 and name  c4') (resid  205 and name  c3')
        (resid  205 and name  o3') (resid  206 and name   p ) 1.0 -180.0 50.0 2
assign  (resid  205 and name  c3') (resid  205 and name  o3')
        (resid  206 and name   p ) (resid  206 and name  o5') 1.0 -85.0 50.0 2
assign  (resid  205 and name  o3') (resid  206 and name   p )
        (resid  206 and name  o5') (resid  206 and name  c5') 1.0 -60.0  50.0 2
assign  (resid  206 and name   p ) (resid  206 and name  o5')
        (resid  206 and name  c5') (resid  206 and name  c4') 1.0 180.0 50.0 2

assign  (resid  206 and name  c4') (resid  206 and name  c3')
        (resid  206 and name  o3') (resid  207 and name   p ) 1.0 -180.0 50.0 2
assign  (resid  206 and name  c3') (resid  206 and name  o3')
        (resid  207 and name   p ) (resid  207 and name  o5') 1.0 -85.0 50.0 2
assign  (resid  206 and name  o3') (resid  207 and name   p )
        (resid  207 and name  o5') (resid  207 and name  c5') 1.0 -60.0  50.0 2
assign  (resid  207 and name   p ) (resid  207 and name  o5')
        (resid  207 and name  c5') (resid  207 and name  c4') 1.0 180.0 50.0 2


assign  (resid  207 and name  c4') (resid  207 and name  c3')
        (resid  207 and name  o3') (resid  208 and name   p ) 1.0 -180.0 50.0 2
assign  (resid  207 and name  c3') (resid  207 and name  o3')
        (resid  208 and name   p ) (resid  208 and name  o5') 1.0 -85.0 50.0 2
assign  (resid  207 and name  o3') (resid  208 and name   p )
        (resid  208 and name  o5') (resid  208 and name  c5') 1.0 -60.0  50.0 2
assign  (resid  208 and name   p ) (resid  208 and name  o5')
        (resid  208 and name  c5') (resid  208 and name  c4') 1.0 180.0 50.0 2

assign  (resid  208 and name  c4') (resid  208 and name  c3')
        (resid  208 and name  o3') (resid  209 and name   p ) 1.0 -180.0 50.0 2
assign  (resid  208 and name  c3') (resid  208 and name  o3')
        (resid  209 and name   p ) (resid  209 and name  o5') 1.0 -85.0 50.0 2
assign  (resid  208 and name  o3') (resid  209 and name   p )
        (resid  209 and name  o5') (resid  209 and name  c5') 1.0 -60.0  50.0 2
assign  (resid  209 and name   p ) (resid  209 and name  o5')
        (resid  209 and name  c5') (resid  209 and name  c4') 1.0 180.0 50.0 2

assign  (resid  209 and name  c4') (resid  209 and name  c3')
        (resid  209 and name  o3') (resid  210 and name   p ) 1.0 -180.0 50.0 2
assign  (resid  209 and name  c3') (resid  209 and name  o3')
        (resid 210 and name   p ) (resid   210 and name  o5') 1.0 -85.0 50.0 2
assign  (resid  209 and name  o3') (resid  210 and name   p )
        (resid 210 and name  o5') (resid 210 and name  c5') 1.0 -60.0  50.0 2
assign  (resid 210 and name   p ) (resid 210 and name  o5')
        (resid 210 and name  c5') (resid 210 and name  c4') 1.0 180.0 50.0 2

assign  (resid 210 and name  c4') (resid 210 and name  c3')
        (resid 210 and name  o3') (resid 211 and name   p ) 1.0 -180.0 50.0 2
assign  (resid 210 and name  c3') (resid 210 and name  o3')
        (resid 211 and name   p ) (resid 211 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 210 and name o3')  (resid 211 and name   p )
        (resid 211 and name  o5') (resid 211 and name  c5') 1.0 -60.0  50.0 2
assign  (resid 211 and name   p ) (resid 211 and name  o5')
        (resid 211 and name  c5') (resid 211 and name  c4') 1.0 180.0 50.0 2

assign  (resid 211 and name  c4') (resid 211 and name  c3')
        (resid 211 and name  o3') (resid 212 and name   p ) 1.0 -180.0 50.0 2
assign  (resid 211 and name  c3') (resid 211 and name  o3')
        (resid 212 and name   p ) (resid 212 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 211 and name  o3') (resid 212 and name   p )
        (resid 212 and name  o5') (resid 212 and name  c5') 1.0 -60.0  50.0 2
assign  (resid 212 and name   p ) (resid 212 and name  o5')
        (resid 212 and name  c5') (resid 212 and name  c4') 1.0 180.0 50.0 2

assign  (resid 212 and name  c4') (resid 212 and name  c3')
        (resid 212 and name  o3') (resid 213 and name   p ) 1.0 -180.0 50.0 2
assign  (resid 212 and name  c3') (resid 212 and name  o3')
        (resid 213 and name   p ) (resid 213 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 212 and name  o3') (resid 213 and name   p )
        (resid 213 and name  o5') (resid 213 and name  c5') 1.0 -60.0  50.0 2
assign  (resid 213 and name   p ) (resid 213 and name  o5')
        (resid 213 and name  c5') (resid 213 and name  c4') 1.0 180.0 50.0 2

assign  (resid 213 and name  c4') (resid 213 and name  c3')
        (resid 213 and name  o3') (resid 214 and name   p ) 1.0 -180.0 50.0 2
assign  (resid 213 and name  c3') (resid 213 and name  o3')
        (resid 214 and name   p ) (resid 214 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 213 and name  o3') (resid 214 and name   p )
        (resid 214 and name  o5') (resid 214 and name  c5') 1.0 -60.0  50.0 2
assign  (resid 214 and name   p ) (resid 214 and name  o5')
        (resid 214 and name  c5') (resid 214 and name  c4') 1.0 180.0 50.0 2

assign  (resid 214 and name  c4') (resid 214 and name  c3')
        (resid 214 and name  o3') (resid 215 and name   p ) 1.0 -180.0 50.0 2
assign  (resid 214 and name  c3') (resid 214 and name  o3')
        (resid 215 and name   p ) (resid 215 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 214 and name  o3') (resid 215 and name   p )
        (resid 215 and name  o5') (resid 215 and name  c5') 1.0 -60.0  50.0 2
assign  (resid 215 and name   p ) (resid 215 and name  o5')
        (resid 215 and name  c5') (resid 215 and name  c4') 1.0 180.0 50.0 2

assign  (resid 215 and name  c4') (resid 215 and name  c3')
        (resid 215 and name  o3') (resid 216 and name   p ) 1.0 -180.0 50.0 2
assign  (resid 215 and name  c3') (resid 215 and name  o3')
        (resid 216 and name   p ) (resid 216 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 215 and name  o3') (resid 216 and name   p )
        (resid 216 and name  o5') (resid 216 and name  c5') 1.0 -60.0  50.0 2
assign  (resid 216 and name   p ) (resid 216 and name  o5')
        (resid 216 and name  c5') (resid 216 and name  c4') 1.0 180.0 50.0 2

assign  (resid 216 and name  c4') (resid 216 and name  c3')
        (resid 216 and name  o3') (resid 217 and name   p ) 1.0 -180.0 50.0 2
assign  (resid 216 and name  c3') (resid 216 and name  o3')
        (resid 217 and name   p ) (resid 217 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 216 and name  o3') (resid 217 and name   p )
        (resid 217 and name  o5') (resid 217 and name  c5') 1.0 -60.0  50.0 2
assign  (resid 217 and name   p ) (resid 217 and name  o5')
        (resid 217 and name  c5') (resid 217 and name  c4') 1.0 180.0 50.0 2

assign  (resid 218 and name  c4') (resid 218 and name  c3')
        (resid 218 and name  o3') (resid 219 and name   p ) 1.0 -180.0 50.0 2
assign  (resid 218 and name  c3') (resid 218 and name  o3')
        (resid 219 and name   p ) (resid 219 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 218 and name  o3') (resid 219 and name   p )
        (resid 219 and name  o5') (resid 219 and name  c5') 1.0 -60.0  50.0 2
assign  (resid 219 and name   p ) (resid 219 and name  o5')
        (resid 219 and name  c5') (resid 219 and name  c4') 1.0 180.0 50.0 2

assign  (resid 219 and name  c4') (resid 219 and name  c3')
        (resid 219 and name  o3') (resid 220 and name   p ) 1.0 -180.0 50.0 2
assign  (resid 219 and name  c3') (resid 219 and name  o3')
        (resid 220 and name   p ) (resid 220 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 219 and name  o3') (resid 220 and name   p )
        (resid 220 and name  o5') (resid 220 and name  c5') 1.0 -60.0  50.0 2
assign  (resid 220 and name   p ) (resid 220 and name  o5')
        (resid 220 and name  c5') (resid 220 and name  c4') 1.0 180.0 50.0 2

assign  (resid 220 and name  c4') (resid 220 and name  c3')
        (resid 220 and name  o3') (resid 221 and name   p ) 1.0 -180.0 50.0 2
assign  (resid 220 and name  c3') (resid 220 and name  o3')
        (resid 221 and name   p ) (resid 221 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 220 and name  o3') (resid 221 and name   p )
        (resid 221 and name  o5') (resid 221 and name  c5') 1.0 -60.0  50.0 2
assign  (resid 221 and name   p ) (resid 221 and name  o5')
        (resid 221 and name  c5') (resid 221 and name  c4') 1.0 180.0 50.0 2

assign  (resid 221 and name  c4') (resid 221 and name  c3')
        (resid 221 and name  o3') (resid 222 and name   p ) 1.0 -180.0 50.0 2
assign  (resid 221 and name  c3') (resid 221 and name  o3')
        (resid 222 and name   p ) (resid 222 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 221 and name  o3') (resid 222 and name   p )
        (resid 222 and name  o5') (resid 222 and name  c5') 1.0 -60.0  50.0 2
assign  (resid 222 and name   p ) (resid 222 and name  o5')
        (resid 222 and name  c5') (resid 222 and name  c4') 1.0 180.0 50.0 2

assign  (resid 222 and name  c4') (resid 222 and name  c3')
        (resid 222 and name  o3') (resid 223 and name   p ) 1.0 -180.0 50.0 2
assign  (resid 222 and name  c3') (resid 222 and name  o3')
        (resid 223 and name   p ) (resid 223 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 222 and name  o3') (resid 223 and name   p )
        (resid 223 and name  o5') (resid 223 and name  c5') 1.0 -60.0  50.0 2
assign  (resid 223 and name   p ) (resid 223 and name  o5')
        (resid 223 and name  c5') (resid 223 and name  c4') 1.0 180.0 50.0 2

assign  (resid 223 and name  c4') (resid 223 and name  c3')
        (resid 223 and name  o3') (resid 224 and name   p ) 1.0 -180.0 50.0 2
assign  (resid 223 and name  c3') (resid 223 and name  o3')
        (resid 224 and name   p ) (resid 224 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 223 and name  o3') (resid 224 and name   p )
        (resid 224 and name  o5') (resid 224 and name  c5') 1.0 -60.0  50.0 2
assign  (resid 224 and name   p ) (resid 224 and name  o5')
        (resid 224 and name  c5') (resid 224 and name  c4') 1.0 180.0 50.0 2

assign  (resid 224 and name  c4') (resid 224 and name  c3')
        (resid 224 and name  o3') (resid 225 and name   p ) 1.0 -180.0 50.0 2
assign  (resid 224 and name  c3') (resid 224 and name  o3')
        (resid 225 and name   p ) (resid 225 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 224 and name  o3') (resid 225 and name   p )
        (resid 225 and name  o5') (resid 225 and name  c5') 1.0 -60.0  50.0 2
assign  (resid 225 and name   p ) (resid 225 and name  o5')
        (resid 225 and name  c5') (resid 225 and name  c4') 1.0 180.0 50.0 2

assign  (resid 225 and name  c4') (resid 225 and name  c3')
        (resid 225 and name  o3') (resid 226 and name   p ) 1.0 -180.0 50.0 2
assign  (resid 225 and name  c3') (resid 225 and name  o3')
        (resid 226 and name   p ) (resid 226 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 225 and name  o3') (resid 226 and name   p )
        (resid 226 and name  o5') (resid 226 and name  c5') 1.0 -60.0  50.0 2
assign  (resid 226 and name   p ) (resid 226 and name  o5')
        (resid 226 and name  c5') (resid 226 and name  c4') 1.0 180.0 50.0 2

assign  (resid 226 and name  c4') (resid 226 and name  c3')
        (resid 226 and name  o3') (resid 227 and name   p ) 1.0 -180.0 50.0 2
assign  (resid 226 and name  c3') (resid 226 and name  o3')
        (resid 227 and name   p ) (resid 227 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 226 and name  o3') (resid 227 and name   p )
        (resid 227 and name  o5') (resid 227 and name  c5') 1.0 -60.0  50.0 2
assign  (resid 227 and name   p ) (resid 227 and name  o5')
        (resid 227 and name  c5') (resid 227 and name  c4') 1.0 180.0 50.0 2

assign  (resid 227 and name  c4') (resid 227 and name  c3')
        (resid 227 and name  o3') (resid 228 and name   p ) 1.0 -180.0 50.0 2
assign  (resid 227 and name  c3') (resid 227 and name  o3')
        (resid 228 and name   p ) (resid 228 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 227 and name  o3') (resid 228 and name   p )
        (resid 227 and name  o5') (resid 228 and name  c5') 1.0 -60.0  50.0 2
assign  (resid 227 and name   p ) (resid 228 and name  o5')
        (resid 227 and name  c5') (resid 228 and name  c4') 1.0 180.0 50.0 2

assign  (resid 228 and name  c4') (resid 228 and name  c3')
        (resid 228 and name  o3') (resid 229 and name   p ) 1.0 -180.0 50.0 2
assign  (resid 228 and name  c3') (resid 228 and name  o3')
        (resid 229 and name   p ) (resid 229 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 228 and name  o3') (resid 229 and name   p )
        (resid 229 and name  o5') (resid 229 and name  c5') 1.0 -60.0  50.0 2
assign  (resid 229 and name   p ) (resid 229 and name  o5')
        (resid 229 and name  c5') (resid 229 and name  c4') 1.0 180.0 50.0 2

assign  (resid 229 and name  c4') (resid 229 and name  c3')
        (resid 229 and name  o3') (resid 230 and name   p ) 1.0 -180.0 50.0 2
assign  (resid 229 and name  c3') (resid 229 and name  o3')
        (resid 230 and name   p ) (resid 230 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 229 and name  o3') (resid 230 and name   p )
        (resid 230 and name  o5') (resid 230 and name  c5') 1.0 -60.0  50.0 2
assign  (resid 230 and name   p ) (resid 230 and name  o5')
        (resid 230 and name  c5') (resid 230 and name  c4') 1.0 180.0 50.0 2

assign  (resid 230 and name  c4') (resid 230 and name  c3')
        (resid 230 and name  o3') (resid 231 and name   p ) 1.0 -180.0 50.0 2
assign  (resid 230 and name  c3') (resid 230 and name  o3')
        (resid 231 and name   p ) (resid 231 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 230 and name  o3') (resid 231 and name   p )
        (resid 231 and name  o5') (resid 231 and name  c5') 1.0 -60.0  50.0 2
assign  (resid 231 and name   p ) (resid 231 and name  o5')
        (resid 231 and name  c5') (resid 231 and name  c4') 1.0 180.0 50.0 2

assign  (resid 231 and name  c4') (resid 231 and name  c3')
        (resid 231 and name  o3') (resid 232 and name   p ) 1.0 -180.0 50.0 2
assign  (resid 231 and name  c3') (resid 231 and name  o3')
        (resid 232 and name   p ) (resid 232 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 231 and name  o3') (resid 232 and name   p )
        (resid 232 and name  o5') (resid 232 and name  c5') 1.0 -60.0  50.0 2
assign  (resid 232 and name   p ) (resid 232 and name  o5')
        (resid 232 and name  c5') (resid 232 and name  c4') 1.0 180.0 50.0 2

assign  (resid 232 and name  c4') (resid 232 and name  c3')
        (resid 232 and name  o3') (resid 233 and name   p ) 1.0 -180.0 50.0 2
assign  (resid 232 and name  c3') (resid 232 and name  o3')
        (resid 233 and name   p ) (resid 233 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 232 and name  o3') (resid 233 and name   p )
        (resid 233 and name  o5') (resid 233 and name  c5') 1.0 -60.0  50.0 2
assign  (resid 233 and name   p ) (resid 233 and name  o5')
        (resid 233 and name  c5') (resid 233 and name  c4') 1.0 180.0 50.0 2

assign  (resid 233 and name  c4') (resid 233 and name  c3')
        (resid 233 and name  o3') (resid 234 and name   p ) 1.0 -180.0 50.0 2
assign  (resid 233 and name  c3') (resid 233 and name  o3')
        (resid 234 and name   p ) (resid 234 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 233 and name  o3') (resid 234 and name   p )
        (resid 234 and name  o5') (resid 234 and name  c5') 1.0 -60.0  50.0 2
assign  (resid 234 and name   p ) (resid 234 and name  o5')
        (resid 234 and name  c5') (resid 234 and name  c4') 1.0 180.0 50.0 2

!dihedral restraints on delta 145 +/- 15

assign (resid 201 and name c5') (resid 201 and name c4')
       (resid 201 and name c3') (resid 201 and name o3')   1.0  145.0 15.0 2
assign (resid 202 and name c5') (resid 202 and name c4')
       (resid 202 and name c3') (resid 202 and name o3')   1.0  145.0 15.0 2
assign (resid 203 and name c5') (resid 203 and name c4')
       (resid 203 and name c3') (resid 203 and name o3')   1.0  145.0 15.0 2
assign (resid 204 and name c5') (resid 204 and name c4')
       (resid 204 and name c3') (resid 204 and name o3')   1.0  145.0 15.0 2
assign (resid 205 and name c5') (resid 205 and name c4')
       (resid 205 and name c3') (resid 205 and name o3')    1.0 145.0 15.0 2
assign (resid 206 and name c5') (resid 206 and name c4')
       (resid 206 and name c3') (resid 206 and name o3')    1.0 145.0 18.0 2
assign (resid 207 and name c5') (resid 207 and name c4')
       (resid 207 and name c3') (resid 207 and name o3')    1.0 145.0 18.0 2
assign (resid 208 and name c5') (resid 208 and name c4')
       (resid 208 and name c3') (resid 208 and name o3')    1.0  145.0 15.0 2
assign (resid 209 and name c5') (resid 209 and name c4')
       (resid 209 and name c3') (resid 209 and name o3')    1.0  145.0 15.0 2
assign (resid 210 and name c5') (resid 210 and name c4')
       (resid 210 and name c3') (resid 210 and name o3')    1.0  145.0 15.0 2
assign (resid 211 and name c5') (resid 211 and name c4')
       (resid 211 and name c3') (resid 211 and name o3')    1.0  145.0 15.0 2
assign (resid 212 and name c5') (resid 212 and name c4')
       (resid 212 and name c3') (resid 212 and name o3')    1.0  145.0 15.0 2
assign (resid 213 and name c5') (resid 213 and name c4')
       (resid 213 and name c3') (resid 213 and name o3')    1.0  145.0 16.0 2
assign (resid 214 and name c5') (resid 214 and name c4')
       (resid 214 and name c3') (resid 214 and name o3')    1.0  145.0 15.0 2
assign (resid 215 and name c5') (resid 215 and name c4')
       (resid 215 and name c3') (resid 215 and name o3')    1.0 145.0 15.0 2
assign (resid 216 and name c5') (resid 216 and name c4')
       (resid 216 and name c3') (resid 216 and name o3')    1.0 145.0 15.0 2
assign (resid 217 and name c5') (resid 217 and name c4')
       (resid 217 and name c3') (resid 217 and name o3')    1.0 145.0 16.0 2
assign (resid 218 and name c5') (resid 218 and name c4')
       (resid 218 and name c3') (resid 218 and name o3')    1.0 145.0 15.0 2
assign (resid 219 and name c5') (resid 219 and name c4')
       (resid 219 and name c3') (resid 219 and name o3')    1.0 145.0 15.0 2
assign (resid 220 and name c5') (resid 220 and name c4')
       (resid 220 and name c3') (resid 220 and name o3')    1.0 145.0 15.0 2
assign (resid 221 and name c5') (resid 221 and name c4')
       (resid 221 and name c3') (resid 221 and name o3')    1.0 145.0 15.0 2
assign (resid 222 and name c5') (resid 222 and name c4')
       (resid 222 and name c3') (resid 222 and name o3')    1.0 145.0 15.0 2
assign (resid 223 and name c5') (resid 223 and name c4')
       (resid 223 and name c3') (resid 223 and name o3')    1.0 145.0 15.0 2
assign (resid 224 and name c5') (resid 224 and name c4')
       (resid 224 and name c3') (resid 224 and name o3')    1.0 145.0 16.0 2
assign (resid 225 and name c5') (resid 225 and name c4')
       (resid 225 and name c3') (resid 225 and name o3')    1.0 145.0 15.0 2
assign (resid 226 and name c5') (resid 226 and name c4')
       (resid 226 and name c3') (resid 226 and name o3')    1.0 145.0 15.0 2
assign (resid 227 and name c5') (resid 227 and name c4')
       (resid 227 and name c3') (resid 227 and name o3')    1.0 145.0 16.0 2
assign (resid 228 and name c5') (resid 228 and name c4')
       (resid 228 and name c3') (resid 228 and name o3')    1.0 145.0 15.0 2
assign (resid 229 and name c5') (resid 229 and name c4')
       (resid 229 and name c3') (resid 229 and name o3')    1.0 145.0 15.0 2
assign (resid 230 and name c5') (resid 230 and name c4')
       (resid 230 and name c3') (resid 230 and name o3')    1.0 145.0 16.0 2
assign (resid 231 and name c5') (resid 231 and name c4')
       (resid 231 and name c3') (resid 231 and name o3')    1.0 145.0 15.0 2
assign (resid 232 and name c5') (resid 232 and name c4')
       (resid 232 and name c3') (resid 232 and name o3')    1.0 145.0 15.0 2
assign (resid 233 and name c5') (resid 233 and name c4')
       (resid 233 and name c3') (resid 233 and name o3')    1.0 145.0 15.0 2
assign (resid 234 and name c5') (resid 234 and name c4')
       (resid 234 and name c3') (resid 234 and name o3')    1.0 145.0 15.0 2

!constraints on gamma: 60 +/-35

assign (resid 201 and name o5') (resid 201 and name c5')
       (resid 201 and name c4') (resid 201 and name c3')   1.0 60.0 35.0 2
assign (resid 202 and name o5') (resid 202 and name c5')
       (resid 202 and name c4') (resid 202 and name c3')   1.0 60.0 35.0 2
assign (resid 203 and name o5') (resid 203 and name c5')
       (resid 203 and name c4') (resid 203 and name c3')   1.0 60.0 35.0 2
assign (resid 204 and name o5') (resid 204 and name c5')
       (resid 204 and name c4') (resid 204 and name c3')   1.0 60.0 35.0 2
assign (resid 205 and name o5') (resid 205 and name c5')
       (resid 205 and name c4') (resid 205 and name c3')   1.0 60.0 35.0 2
assign (resid 206 and name o5') (resid 206 and name c5')
       (resid 206 and name c4') (resid 206 and name c3')   1.0 60.0 35.0 2
assign (resid 207 and name o5') (resid 207 and name c5')
       (resid 207 and name c4') (resid 207 and name c3')   1.0 60.0 35.0 2
assign (resid 208 and name o5') (resid 208 and name c5')
       (resid 208 and name c4') (resid 208 and name c3')   1.0 60.0 35.0 2
assign (resid 209 and name o5') (resid 209 and name c5')
       (resid 209 and name c4') (resid 209 and name c3')   1.0 60.0 35.0 2
assign (resid 210 and name o5') (resid 210 and name c5')
       (resid 210 and name c4') (resid 210 and name c3')   1.0 60.0 35.0 2
assign (resid 211 and name o5') (resid 211 and name c5')
       (resid 211 and name c4') (resid 211 and name c3')   1.0 60.0 35.0 2
assign (resid 212 and name o5') (resid 212 and name c5')
       (resid 212 and name c4') (resid 212 and name c3')   1.0 60.0 35.0 2
assign (resid 213 and name o5') (resid 213 and name c5')
       (resid 213 and name c4') (resid 213 and name c3')   1.0 60.0 35.0 2
assign (resid 214 and name o5') (resid 214 and name c5')
       (resid 214 and name c4') (resid 214 and name c3')   1.0 60.0 35.0 2
assign (resid 215 and name o5') (resid 215 and name c5')
       (resid 215 and name c4') (resid 215 and name c3')   1.0 60.0 35.0 2
assign (resid 216 and name o5') (resid 216 and name c5')
       (resid 216 and name c4') (resid 216 and name c3')   1.0 60.0 35.0 2
assign (resid 217 and name o5') (resid 217 and name c5')
       (resid 217 and name c4') (resid 217 and name c3')   1.0 60.0 35.0 2
assign (resid 218 and name o5') (resid 218 and name c5')
       (resid 218 and name c4') (resid 218 and name c3')   1.0 60.0 35.0 2
assign (resid 219 and name o5') (resid 219 and name c5')
       (resid 219 and name c4') (resid 219 and name c3')   1.0 60.0 35.0 2
assign (resid 220 and name o5') (resid 220 and name c5')
       (resid 220 and name c4') (resid 220 and name c3')   1.0 60.0 35.0 2
assign (resid 221 and name o5') (resid 221 and name c5')
       (resid 221 and name c4') (resid 221 and name c3')   1.0 60.0 35.0 2
assign (resid 222 and name o5') (resid 222 and name c5')
       (resid 222 and name c4') (resid 222 and name c3')   1.0 60.0 35.0 2
assign (resid 223 and name o5') (resid 223 and name c5')
       (resid 223 and name c4') (resid 223 and name c3')   1.0 60.0 35.0 2
assign (resid 224 and name o5') (resid 224 and name c5')
       (resid 224 and name c4') (resid 224 and name c3')   1.0 60.0 35.0 2
assign (resid 225 and name o5') (resid 225 and name c5')
       (resid 225 and name c4') (resid 225 and name c3')   1.0 60.0 35.0 2
assign (resid 226 and name o5') (resid 226 and name c5')
       (resid 226 and name c4') (resid 226 and name c3')   1.0 60.0 35.0 2
assign (resid 227 and name o5') (resid 227 and name c5')
       (resid 227 and name c4') (resid 227 and name c3')   1.0 60.0 35.0 2
assign (resid 228 and name o5') (resid 228 and name c5')
       (resid 228 and name c4') (resid 228 and name c3')   1.0 60.0 35.0 2
assign (resid 229 and name o5') (resid 229 and name c5')
       (resid 229 and name c4') (resid 229 and name c3')   1.0 60.0 35.0 2
assign (resid 230 and name o5') (resid 230 and name c5')
       (resid 230 and name c4') (resid 230 and name c3')   1.0 60.0 35.0 2
assign (resid 231 and name o5') (resid 231 and name c5')
       (resid 231 and name c4') (resid 231 and name c3')   1.0 60.0 35.0 2
assign (resid 232 and name o5') (resid 232 and name c5')
       (resid 232 and name c4') (resid 232 and name c3')   1.0 60.0 35.0 2
assign (resid 233 and name o5') (resid 233 and name c5')
       (resid 233 and name c4') (resid 233 and name c3')   1.0 60.0 35.0 2
assign (resid 234 and name o5') (resid 234 and name c5')
       (resid 234 and name c4') (resid 234 and name c3')   1.0 60.0 35.0 2





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

Contact the webmaster for help, if required. Thursday, July 4, 2024 7:49:33 AM GMT (wattos1)