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 subtype subsubtype
27407 2rm4 11009 cing 1-original 4 XPLOR/CNS distance NOE simple



!T6

assign(resid    6 and name HN   )(resid   5 and name HA   ) 0.0 0.0 2.7

!Q8

assign(resid   8 and name HN   )(resid   9 and name HN   ) 0.0 0.0 2.7
assign(resid   8 and name HN   )(resid   8 and name HA   ) 0.0 0.0 3.2
assign(resid   8 and name HN   )(resid   7 and name HA   ) 0.0 0.0 2.7
assign(resid   8 and name HN   )(resid   7 and name HB+  ) 0.0 0.0 3.5


! D9

assign(resid   9 and name HN   )(resid   9 and name HA   ) 2.7 0.0 5.0
assign(resid   9 and name HN   )(resid   8 and name HA   ) 0.0 0.0 3.2

assign(resid   9 and name HN   )(resid   8 and name HB1  ) 3.2 0.0 1.8
assign(resid   9 and name HN   )(resid   8 and name HB2  ) 3.2 0.0 1.8

assign(resid   9 and name HN   )(resid  10 and name HN   ) 0.0 0.0 2.7


! W10

assign(resid  10 and name HN   )(resid  10 and name HA   ) 2.7 0.0 5.0
assign(resid  10 and name HN   )(resid   9 and name HA   ) 2.7 0.0 5.0
assign(resid  10 and name HN   )(resid   9 and name HB+  ) 2.7 0.0 5.0

assign(resid  10 and name HN   )(resid  11 and name HN   ) 0.0 0.0 2.7

assign(resid  10 and name HN   )(resid  10 and name HD1  ) 2.7 0.0 5.0

assign(resid  10 and name HN   )(resid  33 and name HD1+ ) 0.0 0.0 4.7

assign(resid  10 and name HE1  )(resid  69 and name HD2+ ) 0.0 0.0 5.0
assign(resid  10 and name HZ3  )(resid  69 and name HD2+ ) 0.0 0.0 3.2
assign(resid  10 and name HE3  )(resid  69 and name HD2+ ) 0.0 0.0 5.0

assign(resid  10 and name HE3  )(resid  30 and name HD1+ ) 3.2 0.0 1.8
!assign(resid  10 and name HZ3  )(resid  30 and name HD1+ ) 0.0 0.0 4.0
assign(resid  10 and name HD1  )(resid  33 and name HD1+ ) 0.0 0.0 4.0

assign(resid  10 and name HE1  )(resid   5 and name HA   ) 0.0 0.0 4.0
!assign(resid  10 and name HZ3  )(resid  15 and name HA   ) 3.2 0.0 5.0


!I11

assign(resid  11 and name HN   )(resid  12 and name HN   ) 3.2 0.0 5.0
assign(resid  11 and name HN   )(resid  10 and name HA   ) 3.2 0.0 5.0
assign(resid  11 and name HN   )(resid  11 and name HA   ) 2.7 0.0 5.0

assign(resid  11 and name HN   )(resid   8 and name HA   ) 0.0 0.0 3.5
assign(resid  11 and name HN   )(resid  33 and name HD1+ ) 0.0 0.0 4.0


assign(resid  11 and name HN   )(resid   9 and name HA   ) 0.0 0.0 4.0
!assign(resid  11 and name HD   )(resid  xx and name HN   ) 0.0 0.0 3.2

assign(resid  11 and name HG2+ )(resid  31 and name HA   ) 0.0 0.0 3.2
assign(resid  11 and name HD1+ )(resid  33 and name HN   ) 0.0 0.0 4.0
assign(resid  11 and name HD1+ )(resid  32 and name HA   ) 0.0 0.0 3.5

assign(resid  11 and name HN   )(resid  10 and name HD1  ) 4.0 0.0 5.0
assign(resid  11 and name HN   )(resid  10 and name HE3  ) 4.0 0.0 5.0


!G12

assign(resid  12 and name HN   )(resid  13 and name HN   ) 0.0 0.0 3.2
assign(resid  12 and name HN   )(resid  11 and name HA   ) 0.0 0.0 2.7
assign(resid  12 and name HN   )(resid  12 and name HA2  ) 0.0 0.0 2.7

assign(resid  12 and name HN   )(resid  30 and name HB   ) 0.0 0.0 5.0




!C13

assign(resid  13 and name HN   )(resid  30 and name HN   ) 0.0 0.0 4.0

assign(resid  13 and name HN   )(resid  30 and name HB   ) 0.0 0.0 3.2
assign(resid  13 and name HN   )(resid  30 and name HG2+ ) 0.0 0.0 4.8

assign(resid  13 and name HA   )(resid  29 and name HD2+ ) 0.0 0.0 4.0


!A14

assign(resid  14 and name HN   )(resid  13 and name HA   ) 0.0 0.0 2.7
assign(resid  14 and name HN   )(resid  14 and name HA   ) 0.0 0.0 3.2

assign(resid  14 and name HN   )(resid  71 and name HN   ) 0.0 0.0 3.5

assign(resid  14 and name HN   )(resid  69 and name HD2+ ) 0.0 0.0 4.8

!assign(resid  14 and name HN   )(resid  xx and name HN   ) 0.0 0.0 4.0


!V15
assign(resid  15 and name HN   )(resid  14 and name HA   ) 0.0 0.0 2.7
assign(resid  15 and name HN   )(resid  15 and name HA   ) 0.0 0.0 3.2

assign(resid  15 and name HN   )(resid  28 and name HN   ) 0.0 0.0 3.5
assign(resid  15 and name HG1+ )(resid  70 and name HN   ) 0.0 0.0 4.0


!S16

assign(resid  16 and name HN   )(resid  17 and name HN   ) 3.2 0.0 5.0
!assign(resid  16 and name HN   )(resid  xx and name HN   ) 3.2 0.0 5.0

assign(resid  16 and name HN   )(resid  15 and name HA   ) 0.0 0.0 2.7
assign(resid  16 and name HN   )(resid  16 and name HA   ) 0.0 0.0 3.2


assign(resid  16 and name HN   )(resid  70 and name HN   ) 3.2 0.0 5.0
assign(resid  16 and name HN   )(resid  69 and name HA   ) 0.0 0.0 4.0
assign(resid  16 and name HA   )(resid  27 and name HA   ) 0.0 0.0 2.7
assign(resid  16 and name HN   )(resid  68 and name HB1  ) 0.0 0.0 5.0
assign(resid  16 and name HN   )(resid  17 and name HD1+ ) 0.0 0.0 4.0


!I17

assign(resid  17 and name HN   )(resid  16 and name HA   ) 0.0 0.0 2.7

assign(resid  17 and name HN   )(resid  26 and name HN   ) 0.0 0.0 3.5
assign(resid  17 and name HN   )(resid  27 and name HA   ) 0.0 0.0 4.0

assign(resid  17 and name HN   )(resid  27 and name HG+  ) 3.2 0.0 5.8
assign(resid  17 and name HN   )(resid  25 and name HG1+ ) 0.0 0.0 4.0


!A18

assign(resid  18 and name HN   )(resid  17 and name HA   ) 0.0 0.0 2.7

assign(resid  18 and name HN   )(resid  19 and name HN   ) 3.2 0.0 5.0
assign(resid  18 and name HN   )(resid  66 and name HN   ) 0.0 0.0 3.5

assign(resid  18 and name HB+  )(resid  66 and name HN   ) 0.0 0.0 4.0
assign(resid  18 and name HB+  )(resid  66 and name HB+  ) 0.0 0.0 4.8

assign(resid  18 and name HN   )(resid  17 and name HD1+ ) 3.5 0.0 5.8


!C19

assign(resid  19 and name HN   )(resid  18 and name HA   ) 0.0 0.0 2.7
!assign(resid  19 and name HN   )(resid  19 and name HB2  ) 0.0 0.0 2.7
!assign(resid  19 and name HN   )(resid  19 and name HB1  ) 0.0 0.0 3.2


!D20

assign(resid  20 and name HN   )(resid  19 and name HN   ) 3.2 0.0 5.0
assign(resid  20 and name HN   )(resid  19 and name HA   ) 0.0 0.0 2.7
assign(resid  20 and name HN   )(resid  20 and name HA   ) 0.0 0.0 3.2
assign(resid  20 and name HN   )(resid  20 and name HB+  ) 0.0 0.0 3.5

assign(resid  20 and name HN   )(resid  64 and name HA   ) 3.2 0.0 5.0

!E21

assign(resid  21 and name HN   )(resid  22 and name HN   ) 0.0 0.0 4.0
assign(resid  21 and name HN   )(resid  20 and name HA   ) 0.0 0.0 2.7
assign(resid  21 and name HN   )(resid  21 and name HA   ) 0.0 0.0 3.2
assign(resid  21 and name HN   )(resid  21 and name HB+  ) 0.0 0.0 3.5
assign(resid  21 and name HN   )(resid  20 and name HB+  ) 0.0 0.0 3.5
assign(resid  21 and name HN   )(resid  21 and name HG+  ) 0.0 0.0 4.0

!assign(resid  21 and name HA   )(resid  23 and name HN   ) 0.0 0.0 4.0


!V22

assign(resid  22 and name HN   )(resid  23 and name HN   ) 0.0 0.0 2.7
assign(resid  22 and name HN   )(resid  22 and name HA   ) 2.7 0.0 5.0
assign(resid  22 and name HN   )(resid  21 and name HA   ) 3.2 0.0 5.0

assign(resid  22 and name HN   )(resid  20 and name HB+  ) 0.0 0.0 4.8


!L23

assign(resid  23 and name HN   )(resid  24 and name HN   ) 0.0 0.0 3.2
assign(resid  23 and name HN   )(resid  23 and name HA   ) 0.0 0.0 3.2
assign(resid  23 and name HN   )(resid  22 and name HA   ) 0.0 0.0 4.0
assign(resid  23 and name HN   )(resid  22 and name HB   ) 0.0 0.0 3.2

assign(resid  23 and name HN   )(resid  19 and name HB1  ) 0.0 0.0 5.0
assign(resid  23 and name HN   )(resid  19 and name HB2  ) 0.0 0.0 4.0

!G24

assign(resid  24 and name HN   )(resid  25 and name HN   ) 3.2 0.0 5.0
assign(resid  24 and name HN   )(resid  24 and name HA2  ) 0.0 0.0 2.7
assign(resid  24 and name HN   )(resid  24 and name HA1  ) 0.0 0.0 3.5



!V25

assign(resid  25 and name HN   )(resid  46 and name HN   ) 0.0 0.0 3.5
assign(resid  25 and name HN   )(resid  24 and name HA1  ) 0.0 0.0 2.7
assign(resid  25 and name HN   )(resid  24 and name HA2  ) 0.0 0.0 3.2


!F26

assign(resid  26 and name HN   )(resid  25 and name HA   ) 0.0 0.0 2.7
assign(resid  26 and name HN   )(resid  26 and name HA   ) 0.0 0.0 3.2

assign(resid  26 and name HN   )(resid  17 and name HB   ) 0.0 0.0 3.2


!Q27

assign(resid  27 and name HN   )(resid  44 and name HN   ) 0.0 0.0 3.5
assign(resid  27 and name HN   )(resid  26 and name HA   ) 0.0 0.0 2.7
assign(resid  27 and name HN   )(resid  45 and name HA   ) 0.0 0.0 4.0
assign(resid  27 and name HN   )(resid  43 and name HA   ) 0.0 0.0 5.0

assign(resid  27 and name HN   )(resid  26 and name HB1  ) 0.0 0.0 4.0
assign(resid  27 and name HN   )(resid  26 and name HB2  ) 0.0 0.0 4.0


assign(resid  27 and name HN   )(resid  26 and name HD2  ) 3.2 0.0 0.8
assign(resid  27 and name HG+  )(resid  16 and name HA   ) 0.0 0.0 4.0
assign(resid  27 and name HG+  )(resid  27 and name HE21 ) 0.0 0.0 3.5
assign(resid  27 and name HG+  )(resid  27 and name HE22 ) 2.7 0.0 4.0
assign(resid  27 and name HE21 )(resid  25 and name HG1+ ) 0.0 0.0 3.2
assign(resid  27 and name HE22 )(resid  25 and name HG1+ ) 3.2 0.0 5.0


!G28

assign(resid  28 and name HN   )(resid  29 and name HN   ) 3.2 0.0 5.0
assign(resid  28 and name HN   )(resid  27 and name HA   ) 0.0 0.0 2.7
assign(resid  28 and name HN   )(resid  28 and name HA2  ) 0.0 0.0 3.2
assign(resid  28 and name HN   )(resid  28 and name HA1  ) 0.0 0.0 3.2

assign(resid  28 and name HN   )(resid  16 and name HA   ) 0.0 0.0 4.0
assign(resid  28 and name HN   )(resid  40 and name HD1+ ) 0.0 0.0 4.7
assign(resid  28 and name HN   )(resid  15 and name HG2+ ) 0.0 0.0 4.7

!L29

assign(resid  29 and name HN   )(resid  41 and name HN   ) 0.0 0.0 3.5
assign(resid  29 and name HN   )(resid  29 and name HA   ) 0.0 0.0 3.2

assign(resid  29 and name HDd+ )(resid  42 and name HD+  ) 0.0 0.0 4.2


!I30

assign(resid  30 and name HN   )(resid  30 and name HA   ) 0.0 0.0 3.2
assign(resid  30 and name HN   )(resid  29 and name HA   ) 0.0 0.0 2.7
assign(resid  30 and name HN   )(resid  12 and name HN   ) 2.7 0.0 5.0

assign(resid  30 and name HN   )(resid  40 and name HG2+ ) 0.0 0.0 4.0

assign(resid  30 and name HA   )(resid  40 and name HG2+ ) 0.0 0.0 3.5
assign(resid  30 and name HG2+ )(resid  11 and name HA   ) 0.0 0.0 4.0

assign(resid  30 and name HD1+ )(resid  10 and name HB1  ) 0.0 0.0 4.0


!K31

assign(resid  31 and name HN   )(resid  32 and name HN   ) 0.0 0.0 2.7
assign(resid  31 and name HN   )(resid  30 and name HA   ) 0.0 0.0 2.7
assign(resid  31 and name HN   )(resid  31 and name HA   ) 2.7 0.0 5.0

assign(resid  31 and name HN   )(resid  40 and name HA   ) 0.0 0.0 3.2
assign(resid  31 and name HN   )(resid  40 and name HG2+ ) 0.0 0.0 4.7


!Q32

assign(resid  32 and name HN   )(resid  39 and name HN   ) 0.0 0.0 3.5
assign(resid  32 and name HN   )(resid  32 and name HA   ) 0.0 0.0 3.2
assign(resid  32 and name HN   )(resid  31 and name HA   ) 0.0 0.0 4.0

assign(resid  32 and name HN   )(resid  39 and name HB   ) 0.0 0.0 4.0
assign(resid  32 and name HN   )(resid  30 and name HG2+ ) 0.0 0.0 4.0
assign(resid  32 and name HN   )(resid  30 and name HA   ) 0.0 0.0 4.0
assign(resid  32 and name HG+  )(resid  32 and name HE22 ) 2.7 0.0 4.0
assign(resid  32 and name HG+  )(resid  32 and name HE21 ) 0.0 0.0 3.5


!I33

assign(resid  32 and name HN   )(resid  33 and name HN   ) 3.2 0.0 5.0
assign(resid  33 and name HN   )(resid  33 and name HA   ) 0.0 0.0 3.2
assign(resid  33 and name HN   )(resid  32 and name HA   ) 0.0 0.0 2.7



!S34

assign(resid  34 and name HN   )(resid  37 and name HN   ) 0.0 0.0 3.5
assign(resid  34 and name HN   )(resid  34 and name HA   ) 0.0 0.0 3.2
assign(resid  34 and name HN   )(resid  33 and name HA   ) 0.0 0.0 2.7

!assign(resid  34 and name HN   )(resid  33 and name HG1+ ) 0.0 0.0 3.5
!assign(resid  34 and name HN   )(resid  33 and name HD1+ ) 3.2 0.0 5.0


assign(resid  34 and name HN   )(resid  38 and name HA   ) 0.0 0.0 3.2
assign(resid  34 and name HN   )(resid  37 and name HG+  ) 3.2 0.0 5.0


!A35

assign(resid  35 and name HN   )(resid  36 and name HN   ) 0.0 0.0 3.5
assign(resid  35 and name HN   )(resid  35 and name HA   ) 2.7 0.0 5.0
assign(resid  35 and name HN   )(resid  34 and name HB1  ) 0.0 0.0 4.0
assign(resid  35 and name HN   )(resid  34 and name HB2  ) 0.0 0.0 2.7

assign(resid  35 and name HA   )(resid  33 and name HGu  ) 0.0 0.0 5.7
assign(resid  35 and name HA   )(resid  37 and name HN   ) 3.2 0.0 5.0



!E36

assign(resid  36 and name HN   )(resid  37 and name HN   ) 0.0 0.0 2.7
assign(resid  36 and name HN   )(resid  36 and name HA   ) 0.0 0.0 3.2
assign(resid  36 and name HN   )(resid  35 and name HA   ) 2.7 0.0 5.0
assign(resid  36 and name HN   )(resid  34 and name HB1  ) 3.2 0.0 5.0
assign(resid  36 and name HN   )(resid  34 and name HB2  ) 0.0 0.0 3.2


!E37

assign(resid  37 and name HN   )(resid  38 and name HN   ) 3.2 0.0 5.0
assign(resid  37 and name HN   )(resid  37 and name HA   ) 0.0 0.0 3.2


!I38

assign(resid  38 and name HN   )(resid  38 and name HA   ) 0.0 0.0 3.2
assign(resid  38 and name HN   )(resid  37 and name HA   ) 0.0 0.0 2.7

assign(resid  38 and name HN   )(resid  59 and name HN   ) 0.0 0.0 3.5
assign(resid  38 and name HN   )(resid  61 and name HN   ) 3.2 0.0 5.0
!assign(resid  38 and name HN   )(resid  59 and name HD2+ ) 0.0 0.0 5.8



!T39

assign(resid  39 and name HN   )(resid  39 and name HA   ) 0.0 0.0 3.2
assign(resid  39 and name HN   )(resid  38 and name HA   ) 0.0 0.0 2.7

assign(resid  39 and name HA   )(resid  58 and name HA   ) 0.0 0.0 2.7
assign(resid  39 and name HN   )(resid  38 and name HG2+ ) 0.0 0.0 4.0

assign(resid  39 and name HN   )(resid  32 and name HB+  ) 0.0 0.0 4.8
assign(resid  39 and name HN   )(resid  33 and name HD1+ ) 0.0 0.0 5.8
assign(resid  39 and name HA   )(resid  58 and name HG1+ ) 0.0 0.0 4.0
assign(resid  39 and name HB   )(resid  32 and name HB+  ) 0.0 0.0 3.5


!I40

assign(resid  40 and name HN   )(resid  40 and name HA   ) 2.7 0.0 5.0
assign(resid  40 and name HN   )(resid  39 and name HA   ) 0.0 0.0 2.7

assign(resid  40 and name HN   )(resid  57 and name HN   ) 0.0 0.0 3.5
assign(resid  40 and name HN   )(resid  57 and name HB   ) 0.0 0.0 3.2
assign(resid  40 and name HN   )(resid  58 and name HA   ) 0.0 0.0 4.0

assign(resid  40 and name HG2+ )(resid  29 and name HA   ) 0.0 0.0 4.8
assign(resid  40 and name HG2+ )(resid  58 and name HA   ) 3.2 0.0 5.8

assign(resid  40 and name HD1+ )(resid  26 and name HE2  ) 0.0 0.0 4.0
assign(resid  40 and name HD1+ )(resid  26 and name HD2  ) 0.0 0.0 4.0


!V41

assign(resid  41 and name HN   )(resid  42 and name HN   ) 3.2 0.0 5.0
assign(resid  41 and name HN   )(resid  41 and name HA   ) 2.7 0.0 5.0
assign(resid  41 and name HN   )(resid  40 and name HA   ) 0.0 0.0 2.7

assign(resid  41 and name HN   )(resid  30 and name HA   ) 0.0 0.0 4.0
assign(resid  41 and name HN   )(resid  40 and name HG2+ ) 2.7 0.0 4.8
assign(resid  41 and name HG2+ )(resid  30 and name HN   ) 3.2 0.0 5.7


!R42

assign(resid  42 and name HN   )(resid  42 and name HA   ) 0.0 0.0 2.7
assign(resid  42 and name HN   )(resid  41 and name HA   ) 0.0 0.0 3.2
assign(resid  42 and name HN   )(resid  41 and name HB   ) 0.0 0.0 2.7

assign(resid  42 and name HN   )(resid  42 and name HG+  ) 0.0 0.0 4.0
assign(resid  42 and name HN   )(resid  42 and name HD+  ) 0.0 0.0 4.0




!A43

assign(resid  43 and name HN   )(resid  44 and name HN   ) 3.2 0.0 5.0
assign(resid  43 and name HN   )(resid  42 and name HN   ) 0.0 0.0 3.2
assign(resid  43 and name HN   )(resid  43 and name HA   ) 2.7 0.0 5.0
assign(resid  43 and name HN   )(resid  42 and name HA   ) 0.0 0.0 2.7

!assign(resid  43 and name HA   )(resid  28 and name HA1  ) 0.0 0.0 3.2
!assign(resid  43 and name HA   )(resid  28 and name HA2  ) 0.0 0.0 2.7

!assign(resid  43 and name HN   )(resid  57 and name HG2+ ) 0.0 0.0 4.7
!assign(resid  43 and name HN   )(resid  55 and name HA   ) 0.0 0.0 5.0
assign(resid  43 and name HN   )(resid  50 and name HDd+ ) 0.0 0.0 4.0


!F44

assign(resid  44 and name HN   )(resid  44 and name HA   ) 2.7 0.0 5.0
assign(resid  44 and name HN   )(resid  43 and name HA   ) 0.0 0.0 2.7
assign(resid  44 and name HN   )(resid  45 and name HN   ) 3.2 0.0 5.0

assign(resid  44 and name HA   )(resid  49 and name HA   ) 0.0 0.0 2.7

assign(resid  44 and name HN   )(resid  44 and name HD2  ) 3.2 0.0 5.0
assign(resid  44 and name HN   )(resid  44 and name HD1  ) 4.0 0.0 5.0
assign(resid  44 and name HN   )(resid  40 and name HD1+ ) 0.0 0.0 4.7

assign(resid  44 and name HN   )(resid  57 and name HG2+ ) 5.0 0.0 5.5


!R45

assign(resid  45 and name HN   )(resid  46 and name HN   ) 3.2 0.0 5.0
assign(resid  45 and name HN   )(resid  48 and name HN   ) 0.0 0.0 3.5
assign(resid  45 and name HN   )(resid  44 and name HA   ) 0.0 0.0 2.7
assign(resid  45 and name HN   )(resid  45 and name HA   ) 0.0 0.0 3.2

assign(resid  45 and name HN   )(resid  49 and name HA   ) 2.7 0.0 5.0

assign(resid  45 and name HN   )(resid  44 and name HD1  ) 3.2 0.0 5.0



!N46

assign(resid  46 and name HN   )(resid  46 and name HA   ) 0.0 0.0 2.7
assign(resid  46 and name HN   )(resid  45 and name HA   ) 0.0 0.0 2.7

assign(resid  46 and name HN   )(resid  26 and name HA   ) 0.0 0.0 4.0

assign(resid  46 and name HN   )(resid  25 and name HG2+ ) 0.0 0.0 5.7
assign(resid  46 and name HD21 )(resid  25 and name HG2+ ) 0.0 0.0 5.0
assign(resid  46 and name HD22 )(resid  25 and name HG2+ ) 3.2 0.0 5.0


!G47

assign(resid  47 and name HN   )(resid  46 and name HN   ) 2.7 0.0 5.0
assign(resid  47 and name HN   )(resid  48 and name HN   ) 0.0 0.0 2.7
assign(resid  47 and name HN   )(resid  47 and name HA2  ) 0.0 0.0 2.7
assign(resid  47 and name HN   )(resid  47 and name HA1  ) 2.7 0.0 5.0

assign(resid  47 and name HN   )(resid  25 and name HN   ) 3.2 0.0 5.0
assign(resid  47 and name HN   )(resid  25 and name HB   ) 2.7 0.0 5.0

assign(resid  47 and name HN   )(resid  46 and name HA   ) 0.0 0.0 3.2
assign(resid  47 and name HN   )(resid  26 and name HA   ) 4.0 0.0 5.0


!V48

assign(resid  48 and name HN   )(resid  48 and name HA   ) 2.7 0.0 5.0
!assign(resid  48 and name HN   )(resid  47 and name HAd  ) 0.0 0.0 2.7
!assign(resid  48 and name HN   )(resid  47 and name HAu  ) 2.7 0.0 5.0

!assign(resid  48 and name HN   )(resid  49 and name HD1  ) 0.0 0.0 4.0
assign(resid  48 and name HN   )(resid  44 and name HD1  ) 0.0 0.0 5.0


!P49

assign(resid  49 and name HD1  )(resid  48 and name HG2+ ) 0.0 0.0 4.0



!L50

assign(resid  50 and name HN   )(resid  49 and name HA   ) 0.0 0.0 2.7
assign(resid  50 and name HN   )(resid  50 and name HA   ) 0.0 0.0 3.2

assign(resid  50 and name HN   )(resid  44 and name HA   ) 0.0 0.0 4.0
assign(resid  50 and name HN   )(resid  45 and name HN   ) 3.2 0.0 5.0

assign(resid  50 and name HN   )(resid  50 and name HG   ) 0.0 0.0 2.7
assign(resid  50 and name HN   )(resid  44 and name HD2  ) 4.0 0.0 1.0


!A55

assign(resid  55 and name HN   )(resid  56 and name HN   ) 3.2 0.0 5.0
assign(resid  55 and name HN   )(resid  55 and name HA   ) 0.0 0.0 3.2
assign(resid  55 and name HN   )(resid  55 and name HB+  ) 0.0 0.0 3.5

assign(resid  55 and name HN   )(resid  43 and name HN   ) 4.0 0.0 1.0
assign(resid  55 and name HN   )(resid  42 and name HN   ) 4.0 0.0 1.0


!E56

assign(resid  56 and name HN   )(resid  57 and name HN   ) 3.2 0.0 5.0
assign(resid  56 and name HN   )(resid  56 and name HA   ) 2.7 0.0 5.0
assign(resid  56 and name HN   )(resid  55 and name HA   ) 0.0 0.0 2.7

assign(resid  56 and name HA   )(resid  41 and name HG1+ ) 0.0 0.0 4.0
!assign(resid  56 and name HA   )(resid  56 and name HG2  ) 0.0 0.0 2.7


!V57

assign(resid  57 and name HN   )(resid  58 and name HN   ) 3.2 0.0 5.0
assign(resid  57 and name HN   )(resid  57 and name HA   ) 2.7 0.0 5.0
assign(resid  57 and name HN   )(resid  56 and name HA   ) 0.0 0.0 2.7

!assign(resid  57 and name HN   )(resid  56 and name HG1  ) 3.2 0.0 5.0
assign(resid  57 and name HN   )(resid  40 and name HG1+ ) 0.0 0.0 4.0

assign(resid  57 and name HG1+ )(resid  26 and name HE1  ) 0.0 0.0 4.7
assign(resid  57 and name HG1+ )(resid  26 and name HD1  ) 0.0 0.0 4.7


!V58

assign(resid  58 and name HN   )(resid  59 and name HN   ) 3.2 0.0 5.0
assign(resid  58 and name HN   )(resid  58 and name HA   ) 2.7 0.0 5.0
assign(resid  58 and name HN   )(resid  57 and name HA   ) 0.0 0.0 2.7

assign(resid  58 and name HN   )(resid  59 and name HD1+ ) 0.0 0.0 4.8



!L59

assign(resid  59 and name HN   )(resid  59 and name HA   ) 2.7 0.0 5.0
assign(resid  59 and name HN   )(resid  58 and name HA   ) 0.0 0.0 2.7

assign(resid  59 and name HN   )(resid  39 and name HA   ) 0.0 0.0 4.0
assign(resid  59 and name HN   )(resid  58 and name HG1+ ) 0.0 0.0 3.5

assign(resid  59 and name HD2+ )(resid  26 and name HD1  ) 4.0 0.0 1.0
assign(resid  59 and name HD2+ )(resid  26 and name HE1  ) 4.0 0.0 1.0

assign(resid  59 and name HD2+ )(resid  26 and name HBu  ) 0.0 0.0 4.0


!K60

assign(resid  60 and name HN   )(resid  61 and name HN   ) 3.2 0.0 5.0
assign(resid  60 and name HN   )(resid  63 and name HN   ) 3.2 0.0 5.0
assign(resid  60 and name HN   )(resid  60 and name HA   ) 2.7 0.0 5.0
assign(resid  60 and name HN   )(resid  59 and name HA   ) 0.0 0.0 2.7

assign(resid  60 and name HN   )(resid  59 and name HD2+ ) 0.0 0.0 4.0
assign(resid  60 and name HA   )(resid  37 and name HA   ) 0.0 0.0 2.7

assign(resid  60 and name HN   )(resid  63 and name HB+  ) 0.0 0.0 4.8


!C61

assign(resid  61 and name HN   )(resid  62 and name HN   ) 2.7 0.0 5.0
assign(resid  61 and name HN   )(resid  61 and name HA   ) 0.0 0.0 3.2
assign(resid  61 and name HN   )(resid  60 and name HA   ) 0.0 0.0 2.7

assign(resid  61 and name HN   )(resid  37 and name HA   ) 0.0 0.0 2.7
assign(resid  61 and name HN   )(resid  64 and name HD1+ ) 3.2 0.0 1.5


!T62

assign(resid  62 and name HN   )(resid  63 and name HN   ) 0.0 0.0 3.2
assign(resid  62 and name HN   )(resid  62 and name HA   ) 2.7 0.0 5.0
assign(resid  62 and name HN   )(resid  61 and name HA   ) 3.2 0.0 5.0

assign(resid  62 and name HN   )(resid  60 and name HB+  ) 0.0 0.0 4.0
assign(resid  62 and name HN   )(resid  64 and name HD1+ ) 4.0 0.0 5.0


!D63

assign(resid  63 and name HN   )(resid  64 and name HN   ) 0.0 0.0 2.7
assign(resid  63 and name HN   )(resid  63 and name HA   ) 0.0 0.0 3.2
assign(resid  63 and name HN   )(resid  62 and name HA   ) 3.2 0.0 5.0
assign(resid  63 and name HN   )(resid  63 and name HB+  ) 0.0 0.0 3.5
assign(resid  63 and name HN   )(resid  62 and name HB   ) 3.2 0.0 5.0

assign(resid  63 and name HN   )(resid  60 and name HB+  ) 0.0 0.0 4.0
assign(resid  63 and name HN   )(resid  60 and name HA   ) 3.2 0.0 5.0
assign(resid  63 and name HN   )(resid  61 and name HA   ) 3.2 0.0 5.0



!I64

assign(resid  64 and name HN   )(resid  65 and name HN   ) 3.2 0.0 5.0
assign(resid  64 and name HN   )(resid  63 and name HA   ) 2.7 0.0 5.0
assign(resid  64 and name HN   )(resid  64 and name HA   ) 0.0 0.0 3.2
assign(resid  64 and name HN   )(resid  61 and name HA   ) 0.0 0.0 3.5

assign(resid  64 and name HA   )(resid  19 and name HA   ) 0.0 0.0 3.2


!R65

assign(resid  65 and name HN   )(resid  66 and name HN   ) 0.0 0.0 2.7
assign(resid  65 and name HN   )(resid  65 and name HA   ) 2.7 0.0 5.0
assign(resid  65 and name HN   )(resid  64 and name HA   ) 0.0 0.0 2.7

assign(resid  65 and name HN   )(resid  19 and name HA   ) 0.0 0.0 3.5
assign(resid  65 and name HN   )(resid  20 and name HN   ) 0.0 0.0 4.0
assign(resid  65 and name HN   )(resid  64 and name HG2+ ) 0.0 0.0 3.5
assign(resid  65 and name HA   )(resid  65 and name HD+  ) 0.0 0.0 3.5


!S66

assign(resid  66 and name HN   )(resid  67 and name HN   ) 3.2 0.0 5.0
assign(resid  66 and name HN   )(resid  66 and name HA   ) 2.7 0.0 5.0
assign(resid  66 and name HN   )(resid  65 and name HA   ) 2.7 0.0 5.0

assign(resid  66 and name HN   )(resid  19 and name HA   ) 0.0 0.0 5.0
assign(resid  66 and name HN   )(resid  64 and name HG2+ ) 0.0 0.0 4.0
assign(resid  66 and name HN   )(resid  17 and name HG2+ ) 0.0 0.0 4.8
assign(resid  66 and name HN   )(resid  65 and name HB+  ) 0.0 0.0 3.5

assign(resid  66 and name HA   )(resid  67 and name HG11 ) 0.0 0.0 4.0


!I67

assign(resid  67 and name HN   )(resid  68 and name HN   ) 3.2 0.0 5.0
assign(resid  67 and name HN   )(resid  67 and name HA   ) 2.7 0.0 5.0
assign(resid  67 and name HN   )(resid  66 and name HA   ) 0.0 0.0 2.7

assign(resid  67 and name HG2+ )(resid  16 and name HA   ) 0.0 0.0 5.8
assign(resid  67 and name HG2+ )(resid  15 and name HA   ) 0.0 0.0 5.8

!D68

assign(resid  68 and name HN   )(resid  68 and name HA   ) 2.7 0.0 5.0
assign(resid  68 and name HN   )(resid  67 and name HA   ) 0.0 0.0 2.7

assign(resid  68 and name HN   )(resid  17 and name HA   ) 0.0 0.0 4.0
assign(resid  68 and name HN   )(resid  16 and name HB1  ) 0.0 0.0 5.0


!L69

assign(resid  69 and name HN   )(resid  69 and name HA   ) 2.7 0.0 5.0
assign(resid  69 and name HN   )(resid  68 and name HA   ) 0.0 0.0 2.7

assign(resid  69 and name HN   )(resid  69 and name HG   ) 0.0 0.0 3.2

assign(resid  69 and name HA   )(resid  15 and name HA   ) 0.0 0.0 2.7
assign(resid  69 and name HA   )(resid  15 and name HB   ) 0.0 0.0 3.2

assign(resid  69 and name HD2+ )(resid  10 and name HA   ) 0.0 0.0 4.8


!I70

assign(resid  70 and name HN   )(resid  69 and name HN   ) 3.2 0.0 5.0
assign(resid  70 and name HN   )(resid  71 and name HN   ) 0.0 0.0 3.2
assign(resid  70 and name HN   )(resid  70 and name HA   ) 2.7 0.0 5.0
assign(resid  70 and name HN   )(resid  69 and name HA   ) 0.0 0.0 2.7

assign(resid  70 and name HN   )(resid  15 and name HA   ) 0.0 0.0 3.2
assign(resid  70 and name HG2+ )(resid  15 and name HA   ) 2.7 0.0 5.0




!E71

assign(resid  71 and name HN   )(resid  71 and name HA   ) 2.7 0.0 5.0
assign(resid  71 and name HN   )(resid  70 and name HA   ) 2.7 0.0 5.0

assign(resid  71 and name HN   )(resid  14 and name HB+  ) 0.0 0.0 4.8
assign(resid  71 and name HN   )(resid  15 and name HA   ) 3.2 0.0 1.8

assign(resid  71 and name HA   )(resid  72 and name HD+  ) 0.0 0.0 3.5

assign(resid  71 and name HN   )(resid  72 and name HD1  ) 3.2 0.0 5.0
assign(resid  71 and name HN   )(resid  72 and name HD2  ) 3.2 0.0 5.0




! xxx

!assign(resid  xx and name HN   )(resid  xx and name HA   ) 2.7 0.0 5.0
!assign(resid  xx and name HN   )(resid  xx and name HA   ) 3.2 0.0 5.0


!assign(resid  xx and name HN   )(resid  xx and name HN   ) 3.2 0.0 5.0


!L102



!G103


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