NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type subtype subsubtype

10099 1p7m cing 1-original 3 XPLOR/CNS distance hydrogen bond simple
! 3meAtag_hbnd_total

!S  8
assign (segid TAG and resid   8 and name hn) (segid TAG and resid   4 and name o) 1.9 0.3 0.5
assign (segid TAG and resid   8 and name  n) (segid TAG and resid   4 and name o) 2.9 0.3 0.4

!Y 16
assign (segid TAG and resid  16 and name hn) (segid TAG and resid  12 and name o) 1.9 0.3 0.5
assign (segid TAG and resid  16 and name  n) (segid TAG and resid  12 and name o) 2.9 0.3 0.4

!H 17
assign (segid TAG and resid  17 and name hn) (segid TAG and resid  13 and name o) 1.9 0.3 0.5
assign (segid TAG and resid  17 and name  n) (segid TAG and resid  13 and name o) 2.9 0.3 0.4

!D 18
assign (segid TAG and resid  18 and name hn) (segid TAG and resid  14 and name o) 1.9 0.3 0.5
assign (segid TAG and resid  18 and name  n) (segid TAG and resid  14 and name o) 2.9 0.3 0.4

!E 33
assign (segid TAG and resid  33 and name hn) (segid TAG and resid  29 and name o) 1.9 0.3 0.5
assign (segid TAG and resid  33 and name  n) (segid TAG and resid  29 and name o) 2.9 0.3 0.4

!M 34
assign (segid TAG and resid  34 and name hn) (segid TAG and resid  30 and name o) 1.9 0.3 0.5
assign (segid TAG and resid  34 and name  n) (segid TAG and resid  30 and name o) 2.9 0.3 0.4

!I 35
assign (segid TAG and resid  35 and name hn) (segid TAG and resid  31 and name o) 1.9 0.3 0.5
assign (segid TAG and resid  35 and name  n) (segid TAG and resid  31 and name o) 2.9 0.3 0.4

!C 36
assign (segid TAG and resid  36 and name hn) (segid TAG and resid  32 and name o) 1.9 0.3 0.5
assign (segid TAG and resid  36 and name  n) (segid TAG and resid  32 and name o) 2.9 0.3 0.4

!L 37
assign (segid TAG and resid  37 and name hn) (segid TAG and resid  33 and name o) 1.9 0.3 0.5
assign (segid TAG and resid  37 and name  n) (segid TAG and resid  33 and name o) 2.9 0.3 0.4

!E 38
assign (segid TAG and resid  38 and name hn) (segid TAG and resid  34 and name o) 1.9 0.3 0.5
assign (segid TAG and resid  38 and name  n) (segid TAG and resid  34 and name o) 2.9 0.3 0.4

!R 53
assign (segid TAG and resid  53 and name hn) (segid TAG and resid  49 and name o) 1.9 0.3 0.5
assign (segid TAG and resid  53 and name  n) (segid TAG and resid  49 and name o) 2.9 0.3 0.4

!E 54
assign (segid TAG and resid  54 and name hn) (segid TAG and resid  50 and name o) 1.9 0.3 0.5
assign (segid TAG and resid  54 and name  n) (segid TAG and resid  50 and name o) 2.9 0.3 0.4

!N 55
assign (segid TAG and resid  55 and name hn) (segid TAG and resid  51 and name o) 1.9 0.3 0.5
assign (segid TAG and resid  55 and name  n) (segid TAG and resid  51 and name o) 2.9 0.3 0.4

!Y 56
assign (segid TAG and resid  56 and name hn) (segid TAG and resid  52 and name o) 1.9 0.3 0.5
assign (segid TAG and resid  56 and name  n) (segid TAG and resid  52 and name o) 2.9 0.3 0.4

!R 57
assign (segid TAG and resid  57 and name hn) (segid TAG and resid  53 and name o) 1.9 0.3 0.5
assign (segid TAG and resid  57 and name  n) (segid TAG and resid  53 and name o) 2.9 0.3 0.4

!A 58
assign (segid TAG and resid  58 and name hn) (segid TAG and resid  54 and name o) 1.9 0.3 0.5
assign (segid TAG and resid  58 and name  n) (segid TAG and resid  54 and name o) 2.9 0.3 0.4

!C 59
assign (segid TAG and resid  59 and name hn) (segid TAG and resid  55 and name o) 1.9 0.3 0.5
assign (segid TAG and resid  59 and name  n) (segid TAG and resid  55 and name o) 2.9 0.3 0.4

!F 60
assign (segid TAG and resid  60 and name hn) (segid TAG and resid  56 and name o) 1.9 0.3 0.5
assign (segid TAG and resid  60 and name  n) (segid TAG and resid  56 and name o) 2.9 0.3 0.4

!Q 62
! assign (segid TAG and resid  62 and name hn) (segid TAG and resid  58 and name o) 1.9 0.3 0.5
! assign (segid TAG and resid  62 and name  n) (segid TAG and resid  58 and name o) 2.9 0.3 0.4

!A 69
assign (segid TAG and resid  69 and name hn) (segid TAG and resid  65 and name o) 1.9 0.3 0.5
assign (segid TAG and resid  69 and name  n) (segid TAG and resid  65 and name o) 2.9 0.3 0.4

!E 77
assign (segid TAG and resid  77 and name hn) (segid TAG and resid  73 and name o) 1.9 0.3 0.5
assign (segid TAG and resid  77 and name  n) (segid TAG and resid  73 and name o) 2.9 0.3 0.4

!R 78
assign (segid TAG and resid  78 and name hn) (segid TAG and resid  74 and name o) 1.9 0.3 0.5
assign (segid TAG and resid  78 and name  n) (segid TAG and resid  74 and name o) 2.9 0.3 0.4

!L 79
assign (segid TAG and resid  79 and name hn) (segid TAG and resid  75 and name o) 1.9 0.3 0.5
assign (segid TAG and resid  79 and name  n) (segid TAG and resid  75 and name o) 2.9 0.3 0.4

!V 80
assign (segid TAG and resid  80 and name hn) (segid TAG and resid  76 and name o) 1.9 0.3 0.5
assign (segid TAG and resid  80 and name  n) (segid TAG and resid  76 and name o) 2.9 0.3 0.4

!Q 93
assign (segid TAG and resid  93 and name hn) (segid TAG and resid  89 and name o) 1.9 0.3 0.5
assign (segid TAG and resid  93 and name  n) (segid TAG and resid  89 and name o) 2.9 0.3 0.4

!A 94
assign (segid TAG and resid  94 and name hn) (segid TAG and resid  90 and name o) 1.9 0.3 0.5
assign (segid TAG and resid  94 and name  n) (segid TAG and resid  90 and name o) 2.9 0.3 0.4

!I 95
assign (segid TAG and resid  95 and name hn) (segid TAG and resid  91 and name o) 1.9 0.3 0.5
assign (segid TAG and resid  95 and name  n) (segid TAG and resid  91 and name o) 2.9 0.3 0.4

!I 96
assign (segid TAG and resid  96 and name hn) (segid TAG and resid  92 and name o) 1.9 0.3 0.5
assign (segid TAG and resid  96 and name  n) (segid TAG and resid  92 and name o) 2.9 0.3 0.4

!A 99
assign (segid TAG and resid  99 and name hn) (segid TAG and resid  95 and name o) 1.9 0.3 0.5
assign (segid TAG and resid  99 and name  n) (segid TAG and resid  95 and name o) 2.9 0.3 0.4

!R100
assign (segid TAG and resid 100 and name hn) (segid TAG and resid  96 and name o) 1.9 0.3 0.5
assign (segid TAG and resid 100 and name  n) (segid TAG and resid  96 and name o) 2.9 0.3 0.4

!A101
assign (segid TAG and resid 101 and name hn) (segid TAG and resid  97 and name o) 1.9 0.3 0.5
assign (segid TAG and resid 101 and name  n) (segid TAG and resid  97 and name o) 2.9 0.3 0.4

!Y102
assign (segid TAG and resid 102 and name hn) (segid TAG and resid  98 and name o) 1.9 0.3 0.5
assign (segid TAG and resid 102 and name  n) (segid TAG and resid  98 and name o) 2.9 0.3 0.4

!L103
assign (segid TAG and resid 103 and name hn) (segid TAG and resid  99 and name o) 1.9 0.3 0.5
assign (segid TAG and resid 103 and name  n) (segid TAG and resid  99 and name o) 2.9 0.3 0.4

!Q104
assign (segid TAG and resid 104 and name hn) (segid TAG and resid 100 and name o) 1.9 0.3 0.5
assign (segid TAG and resid 104 and name  n) (segid TAG and resid 100 and name o) 2.9 0.3 0.4

!M105
assign (segid TAG and resid 105 and name hn) (segid TAG and resid 101 and name o) 1.9 0.3 0.5
assign (segid TAG and resid 105 and name  n) (segid TAG and resid 101 and name o) 2.9 0.3 0.4

!E106
assign (segid TAG and resid 106 and name hn) (segid TAG and resid 102 and name o) 1.9 0.3 0.5
assign (segid TAG and resid 106 and name  n) (segid TAG and resid 102 and name o) 2.9 0.3 0.4

!N108
assign (segid TAG and resid 108 and name hn) (segid TAG and resid 104 and name o) 1.9 0.3 0.5
assign (segid TAG and resid 108 and name  n) (segid TAG and resid 104 and name o) 2.9 0.3 0.4

!V116
assign (segid TAG and resid 116 and name hn) (segid TAG and resid 112 and name o) 1.9 0.3 0.5
assign (segid TAG and resid 116 and name  n) (segid TAG and resid 112 and name o) 2.9 0.3 0.4

!W117
assign (segid TAG and resid 117 and name hn) (segid TAG and resid 113 and name o) 1.9 0.3 0.5
assign (segid TAG and resid 117 and name  n) (segid TAG and resid 113 and name o) 2.9 0.3 0.4

!S118
assign (segid TAG and resid 118 and name hn) (segid TAG and resid 114 and name o) 1.9 0.3 0.5
assign (segid TAG and resid 118 and name  n) (segid TAG and resid 114 and name o) 2.9 0.3 0.4

!F119
assign (segid TAG and resid 119 and name hn) (segid TAG and resid 115 and name o) 1.9 0.3 0.5
assign (segid TAG and resid 119 and name  n) (segid TAG and resid 115 and name o) 2.9 0.3 0.4

!V120
assign (segid TAG and resid 120 and name hn) (segid TAG and resid 116 and name o) 1.9 0.3 0.5
assign (segid TAG and resid 120 and name  n) (segid TAG and resid 116 and name o) 2.9 0.3 0.4

!A144
assign (segid TAG and resid 144 and name hn) (segid TAG and resid 140 and name o) 1.9 0.3 0.5
assign (segid TAG and resid 144 and name  n) (segid TAG and resid 140 and name o) 2.9 0.3 0.4

!L145
assign (segid TAG and resid 145 and name hn) (segid TAG and resid 141 and name o) 1.9 0.3 0.5
assign (segid TAG and resid 145 and name  n) (segid TAG and resid 141 and name o) 2.9 0.3 0.4

!S146
assign (segid TAG and resid 146 and name hn) (segid TAG and resid 142 and name o) 1.9 0.3 0.5
assign (segid TAG and resid 146 and name  n) (segid TAG and resid 142 and name o) 2.9 0.3 0.4

!K147
assign (segid TAG and resid 147 and name hn) (segid TAG and resid 143 and name o) 1.9 0.3 0.5
assign (segid TAG and resid 147 and name  n) (segid TAG and resid 143 and name o) 2.9 0.3 0.4

!A148
assign (segid TAG and resid 148 and name hn) (segid TAG and resid 144 and name o) 1.9 0.3 0.5
assign (segid TAG and resid 148 and name  n) (segid TAG and resid 144 and name o) 2.9 0.3 0.4

!L149
assign (segid TAG and resid 149 and name hn) (segid TAG and resid 145 and name o) 1.9 0.3 0.5
assign (segid TAG and resid 149 and name  n) (segid TAG and resid 145 and name o) 2.9 0.3 0.4

!K150
assign (segid TAG and resid 150 and name hn) (segid TAG and resid 146 and name o) 1.9 0.3 0.5
assign (segid TAG and resid 150 and name  n) (segid TAG and resid 146 and name o) 2.9 0.3 0.4

!K151
assign (segid TAG and resid 151 and name hn) (segid TAG and resid 147 and name o) 1.9 0.3 0.5
assign (segid TAG and resid 151 and name  n) (segid TAG and resid 147 and name o) 2.9 0.3 0.4

!R152
assign (segid TAG and resid 152 and name hn) (segid TAG and resid 148 and name o) 1.9 0.3 0.5
assign (segid TAG and resid 152 and name  n) (segid TAG and resid 148 and name o) 2.9 0.3 0.4

!Y163
assign (segid TAG and resid 163 and name hn) (segid TAG and resid 159 and name o) 1.9 0.3 0.5
assign (segid TAG and resid 163 and name  n) (segid TAG and resid 159 and name o) 2.9 0.3 0.4

!S164
assign (segid TAG and resid 164 and name hn) (segid TAG and resid 160 and name o) 1.9 0.3 0.5
assign (segid TAG and resid 164 and name  n) (segid TAG and resid 160 and name o) 2.9 0.3 0.4

!F165
assign (segid TAG and resid 165 and name hn) (segid TAG and resid 161 and name o) 1.9 0.3 0.5
assign (segid TAG and resid 165 and name  n) (segid TAG and resid 161 and name o) 2.9 0.3 0.4

!M166
assign (segid TAG and resid 166 and name hn) (segid TAG and resid 162 and name o) 1.9 0.3 0.5
assign (segid TAG and resid 166 and name  n) (segid TAG and resid 162 and name o) 2.9 0.3 0.4

!Q167
assign (segid TAG and resid 167 and name hn) (segid TAG and resid 163 and name o) 1.9 0.3 0.5
assign (segid TAG and resid 167 and name  n) (segid TAG and resid 163 and name o) 2.9 0.3 0.4

!C169
assign (segid TAG and resid 169 and name hn) (segid TAG and resid 165 and name o) 1.9 0.3 0.5
assign (segid TAG and resid 169 and name  n) (segid TAG and resid 165 and name o) 2.9 0.3 0.4

! beta sheet
assign (segid TAG and resid 125 and name hn) (segid TAG and resid 171 and name o) 1.9 0.3 0.5
assign (segid TAG and resid 125 and name  n) (segid TAG and resid 171 and name o) 2.9 0.3 0.4

assign (segid TAG and resid 173 and name hn) (segid TAG and resid 125 and name o) 1.9 0.3 0.5
assign (segid TAG and resid 173 and name  n) (segid TAG and resid 125 and name o) 2.9 0.3 0.4

assign (segid TAG and resid 127 and name hn) (segid TAG and resid 173 and name o) 1.9 0.3 0.5
assign (segid TAG and resid 127 and name  n) (segid TAG and resid 173 and name o) 2.9 0.3 0.4

! new_hbnd_noe.tbl
! His17
assign (resid 17 and name HD1) (resid 18 and (name OD1 or name OD2)) 1.9 0.3 0.5
assign (resid 17 and name ND1) (resid 18 and (name OD1 or name OD2)) 2.9 0.3 0.4 

! His175
assign (resid 175 and name HE2) (resid 21 and name O ) 1.9 0.3 0.5
assign (resid 175 and name NE2) (resid 21 and name O ) 2.9 0.3 0.4

! His61
assign (resid 61 and name HE2) (resid 57 and name HH#) 1.9 0.3 0.5
assign (resid 61 and name NE2) (resid 57 and name HH#) 1.9 0.3 0.4

! intermole-Hbond
assign (segid 3MEA and resid 1 and name n7)
       (segid TAG and resid 38 and name oe2) 2.9 0.3 0.4
assign (segid 3MEA and resid 1 and name n7) 
       (segid TAG and resid 38 and name he2) 1.9 0.3 0.5

assign (segid 3MEA and resid 1 and name n6) 
       (segid TAG and resid 38 and name oe1) 2.9 0.3 0.4
assign (segid 3MEA and resid 1 and name h61)
       (segid TAG and resid 38 and name oe1) 1.9 0.3 0.5

assign (segid 3MEA and resid 1 and name n1)
       (segid TAG and resid 16 and name hh) 1.9 0.3 0.5
assign (segid 3MEA and resid 1 and name n1) 
       (segid TAG and resid 16 and name oh) 2.9 0.3 0.4

assign (segid 3MEA and resid 1 and name h62)
       (segid TAG and resid 16 and name oh) 1.9 0.3 0.5
assign (segid 3MEA and resid 1 and name n6)
       (segid TAG and resid 16 and name oh) 2.9 0.3 0.4
Please acknowledge these references in publications where the data from this site have been utilized.
Contact the webmaster for help, if required. Saturday, May 18, 2024 6:08:39 AM GMT (wattos1)
image	mrblock_id	pdb_id	cing	stage	position	program	type	subtype	subsubtype
	10099	1p7m	cing	1-original	3	XPLOR/CNS	distance	hydrogen bond	simple