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
6411 1iym 5459 cing 1-original 2 XPLOR/CNS distance NOE simple


! Interresidue NOE constraints from HC for RING
!       octanetay:/disk1/toshi/KATOH/XPLOR/RING_noZN/HC_inter.tbl     7/26/01

!A1

!M2

!D3

!D4

!G5

!V6

!E7

!C8
assign  (resid  8 and name ha)(resid 15 and name hd1#) 2.0 0.2 4.5
assign  (resid  8 and name ha)(resid 15 and name hd2#) 2.0 0.2 4.5
assign  (resid  8 and name ha)(resid 31 and name ha) 2.0 0.2 2.0
assign  (resid  8 and name ha)(resid 31 and name hd1) 2.0 0.2 3.0

!A9
assign (resid  9 and name ha)(resid 12 and name hd2#) 2.0 0.2 4.5
!!
assign (resid  9 and name hb#)(resid 31 and name hd#) 2.0 0.2 7.0 ! 3.0
assign  (resid  9 and name hb#)(resid 31 and name he#) 2.0 0.2 5.0 ! 1.0
assign  (resid  9 and name hb#)(resid 31 and name hz) 2.0 0.2 3.0 ! 1.5
assign  (resid  9 and name hb#)(resid 48 and name ha) 2.0 0.2 4.5 ! 3.0
assign  (resid  9 and name hb#)(resid 48 and name hb2) 2.0 0.2 3.0 ! 1.5
assign  (resid  9 and name hb#)(resid 48 and name hd1#) 2.0 0.2 4.0 ! 1.0
assign  (resid  9 and name hb#)(resid 48 and name hd2#) 2.0 0.2 4.5 ! 1.5

!V10
assign  (resid 10 and name hb)(resid 35 and name hb1) 2.0 0.2 0.7
assign  (resid 10 and name hb)(resid 35 and name hb2) 2.0 0.2 1.5
!!
assign  (resid 10 and name hg2#)(resid  9 and name hb#) 2.0 0.2 4.5
assign  (resid 10 and name hg2#)(resid 31 and name hd#) 2.0 0.2 5.5 ! +2.5
assign  (resid 10 and name hg2#)(resid 31 and name he#) 2.0 0.2 7.0 ! +2.5
assign  (resid 10 and name hg2#)(resid 35 and name hb1) 2.0 0.2 2.0
assign  (resid 10 and name hg2#)(resid 35 and name hb2) 2.0 0.2 4.5
assign  (resid 10 and name hg2#)(resid 36 and name ha) 2.0 0.2 3.0
assign  (resid 10 and name hg2#)(resid 39 and name hb#) 2.0 0.2 6.0 ! 3.0
assign  (resid 10 and name hg2#)(resid 39 and name he3) 2.0 0.2 4.5
!!
assign  (resid 10 and name hg1#)(resid 11 and name ha) 2.0 0.2 4.5
assign  (resid 10 and name hg1#)(resid 11 and name hb1) 2.0 0.2 3.0
assign  (resid 10 and name hg1#)(resid 11 and name hb2) 2.0 0.2 4.5
assign  (resid 10 and name hg1#)(resid 35 and name ha) 2.0 0.2 4.5
assign  (resid 10 and name hg1#)(resid 35 and name hb1) 2.0 0.2 2.2
assign  (resid 10 and name hg1#)(resid 35 and name hb2) 2.0 0.2 4.5
assign  (resid 10 and name hg1#)(resid 39 and name hb1) 2.0 0.2 4.5
assign  (resid 10 and name hg1#)(resid 39 and name he3) 2.0 0.2 4.5

!C11

!L12
assign  (resid 12 and name ha)(resid  7 and name hb#) 2.0 0.2 3.0
assign  (resid 12 and name ha)(resid  7 and name hg#) 2.0 0.2 2.5

!A13

!E14

!L15
assign  (resid 15 and name hd1#)(resid  6 and name hg1#) 2.0 0.2 6.0
assign  (resid 15 and name hd1#)(resid  8 and name hb2) 2.0 0.2 3.0
!!
assign  (resid 15 and name hd2#)(resid  6 and name hg1#) 2.0 0.2 6.0
assign  (resid 15 and name hd2#)(resid  6 and name hg2#) 2.0 0.2 6.0
assign  (resid 15 and name hd2#)(resid  8 and name hb2) 2.0 0.2 3.0
assign  (resid 15 and name hd2#)(resid 23 and name hz) 2.0 0.2 4.5

!E16

!D17

!G18

!E19
assign (resid 19 and name hb1)(resid 32 and name hd2) 2.0 0.2 3.0
!!
assign  (resid 19 and name hb2)(resid 32 and name hd2) 2.0 0.2 3.0
!!
assign  (resid 19 and name hg#)(resid 32 and name hd2) 2.0 0.2 4.5

!E20

!A21
!!
assign  (resid 21 and name ha)(resid 15 and name hd1#) 2.0 0.2 4.5
assign  (resid 21 and name ha)(resid 15 and name hd2#) 2.0 0.2 4.5
assign (resid 21 and name ha)(resid 32 and name ha) 2.0 0.2 0.7
!
assign  (resid 21 and name hb#)(resid 15 and name hd1#) 2.0 0.2 4.5
assign  (resid 21 and name hb#)(resid 15 and name hd2#) 2.0 0.2 4.5
assign  (resid 21 and name hb#)(resid 23 and name he#) 2.0 0.2 5.5 ! +2.5
assign  (resid 21 and name hb#)(resid 23 and name hz) 2.0 0.2 4.5

!R22

!F23
assign  (resid 23 and name ha)(resid 24 and name hd2#) 2.0 0.2 4.5
!assign  (resid 23 and name ha)(resid 27 and name ha) 2.0 0.2 3.0
assign (resid 23 and name ha)(resid 30 and name ha1) 2.0 0.2 1.5
assign  (resid 23 and name ha)(resid 30 and name ha2) 2.0 0.2 0.7

!L24
assign  (resid 24 and name hb1)(resid 53 and name hb) 2.0 0.2 3.0
!!
assign  (resid 24 and name hg)(resid 31 and name hd#) 2.0 0.2 5.5 ! +2.5
assign  (resid 24 and name hg)(resid 31 and name he#) 2.0 0.2 5.5 ! +2.5
!!
assign  (resid 24 and name hd1#)(resid 31 and name hd#) 2.0 0.2 7.0 ! +2.5
assign  (resid 24 and name hd1#)(resid 31 and name he#) 2.0 0.2 5.5 ! +2.5
assign  (resid 24 and name hd1#)(resid 36 and name hg2#) 2.0 0.2 4.5
assign  (resid 24 and name hd1#)(resid 46 and name ha) 2.0 0.2 2.2
assign  (resid 24 and name hd1#)(resid 46 and name hb1) 2.0 0.2 5.5
assign  (resid 24 and name hd1#)(resid 46 and name hb2) 2.0 0.2 2.2
assign  (resid 24 and name hd1#)(resid 47 and name hd1) 2.0 0.2 4.5
assign  (resid 24 and name hd1#)(resid 47 and name hd2) 2.0 0.2 3.0
assign  (resid 24 and name hd1#)(resid 53 and name hb) 2.0 0.2 4.5
assign  (resid 24 and name hd1#)(resid 53 and name hg1#) 2.0 0.2 4.5
assign  (resid 24 and name hd1#)(resid 53 and name hg2#) 2.0 0.2 3.7
!!
assign  (resid 24 and name hd2#)(resid 25 and name hd#) 2.0 0.2 4.0
assign  (resid 24 and name hd2#)(resid 31 and name he#) 2.0 0.2 5.5     ! +2.5
assign  (resid 24 and name hd2#)(resid 46 and name ha) 2.0 0.2 5.5
assign  (resid 24 and name hd2#)(resid 46 and name hb2) 2.0 0.2 4.5

!P25
assign (resid 25 and name hd1)(resid 53 and name hb) 2.0 0.2 4.5
assign  (resid 25 and name hd2)(resid 53 and name hb) 2.0 0.2 4.5
!!
assign  (resid 25 and name hg#)(resid 24 and name ha) 2.0 0.2 4.5
assign  (resid 25 and name hg#)(resid 53 and name hb) 2.0 0.2 3.0
!!
assign  (resid 25 and name hd#)(resid 53 and name hg1#) 2.0 0.2 6.0

!R26
assign (resid 26 and name hb1)(resid 51 and name hd2#) 2.0 0.2 3.0
assign  (resid 26 and name hb2)(resid 51 and name hd2#) 2.0 0.2 3.0
!!
assign  (resid 26 and name hg1)(resid 51 and name hb1) 2.0 0.2 3.0
assign  (resid 26 and name hg1)(resid 51 and name hb2) 2.0 0.2 1.5
!!
assign  (resid 26 and name hg2)(resid 51 and name hd2#) 2.0 0.2 4.5
!!
assign (resid 26 and name hd#)(resid 51 and name hd1#) 2.0 0.2 6.0

!C27
assign (resid 27 and name ha)(resid 51 and name hd1#) 2.0 0.2 4.5
!!
assign  (resid 27 and name hb1)(resid 51 and name hb1) 2.0 0.2 3.0
assign  (resid 27 and name hb1)(resid 51 and name hb2) 2.0 0.2 3.0
assign  (resid 27 and name hb1)(resid 51 and name hd1#) 2.0 0.2 2.2
assign  (resid 27 and name hb1)(resid 51 and name hd2#) 2.0 0.2 3.0
!!
assign  (resid 27 and name hb2)(resid 51 and name hd1#) 2.0 0.2 3.0

!G28
assign (resid 28 and name ha#)(resid 25 and name hd#) 2.0 0.2 6.0

!H29
assign  (resid 29 and name hb1)(resid 31 and name he#) 2.0 0.2 4.0
assign  (resid 29 and name hb1)(resid 31 and name hz) 2.0 0.2 3.0
assign  (resid 29 and name hb1)(resid 48 and name hd1#) 2.0 0.2 4.5
assign  (resid 29 and name hb1)(resid 48 and name hd2#) 2.0 0.2 4.5
!!
assign (resid 29 and name hb2)(resid 24 and name hb2) 2.0 0.2 3.0
assign  (resid 29 and name hb2)(resid 24 and name hd1#) 2.0 0.2 4.5
assign  (resid 29 and name hb2)(resid 31 and name hz) 2.0 0.2 3.0
assign  (resid 29 and name hb2)(resid 31 and name he#) 2.0 0.2 4.0
!!
assign  (resid 29 and name hd2)(resid 48 and name hd1#) 2.0 0.2 5.5
assign  (resid 29 and name hd2)(resid 48 and name hd2#) 2.0 0.2 4.0
!!
assign  (resid 29 and name he1)(resid 49 and name hb1) 2.0 0.2 1.5

!G30
assign  (resid 30 and name ha1)(resid 15 and name hd1#) 2.0 0.2 4.5
!assign (resid 30 and name ha1)(resid 23 and name hb1) 2.0 0.2 3.0
assign (resid 30 and name ha1)(resid 23 and name he#) 2.0 0.2 5.5 ! +2.5
!!
assign  (resid 30 and name ha2)(resid 15 and name hd1#) 2.0 0.2 4.5
assign  (resid 30 and name ha2)(resid 22 and name ha) 2.0 0.2 4.0
assign  (resid 30 and name ha2)(resid 23 and name hd#) 2.0 0.2 5.5      ! +2.5
assign  (resid 30 and name ha2)(resid 23 and name he#) 2.0 0.2 5.5      ! +2.5

!F31
assign (resid 31 and name ha)(resid 15 and name hd1#) 2.0 0.2 4.5
assign  (resid 31 and name ha)(resid 15 and name hd2#) 2.0 0.2 4.5
assign  (resid 31 and name ha)(resid 32 and name he1) 2.0 0.2 4.0
!!
assign  (resid 31 and name hb1)(resid 35 and name hb1) 2.0 0.2 3.0
assign  (resid 31 and name hb1)(resid 35 and name hb2) 2.0 0.2 1.5
assign  (resid 31 and name hb1)(resid 47 and name hd1) 2.0 0.2 3.0
assign  (resid 31 and name hb1)(resid 47 and name hd2) 2.0 0.2 3.0
!!
assign  (resid 31 and name hb2)(resid 35 and name hb2) 2.0 0.2 3.0
!!
assign  (resid 31 and name he#)(resid 48 and name hb2) 2.0 0.2 5.5 ! +2.5
assign  (resid 31 and name he#)(resid 48 and name hd1#) 2.0 0.2 7.0 ! +2.5
!!
assign  (resid 31 and name hz)(resid 48 and name hb2) 2.0 0.2 5.5      ! +2.5

!H32
assign  (resid 32 and name ha)(resid 15 and name hd1#) 2.0 0.2 4.5
assign  (resid 32 and name ha)(resid 15 and name hd2#) 2.0 0.2 4.5
assign  (resid 32 and name ha)(resid 33 and name hb#) 2.0 0.2 4.5
!!
assign  (resid 32 and name hb1)(resid 34 and name hb#) 2.0 0.2 4.5
assign  (resid 32 and name hb1)(resid 34 and name hg#) 2.0 0.2 4.5
!
assign  (resid 32 and name he1)(resid  8 and name hb1) 2.0 0.2 3.0
assign  (resid 32 and name he1)(resid  8 and name hb2) 2.0 0.2 3.0
assign (resid 32 and name he1)(resid 13 and name hb#) 2.0 0.2 3.0
!assign  (resid 32 and name he1)(resid 15 and name ha) 2.0 0.2 4.5

!A33
assign (resid 33 and name ha)(resid 22 and name hb#) 2.0 0.2 2.2
assign  (resid 33 and name ha)(resid 22 and name hg1) 2.0 0.2 3.0
assign  (resid 33 and name ha)(resid 22 and name hg2) 2.0 0.2 1.5
assign  (resid 33 and name ha)(resid 22 and name hd#) 2.0 0.2 5.5
assign  (resid 33 and name ha)(resid 36 and name hg1#) 2.0 0.2 3.0
assign  (resid 33 and name ha)(resid 36 and name hg2#) 2.0 0.2 4.5
!!
assign  (resid 33 and name hb#)(resid 20 and name ha) 2.0 0.2 4.5
assign  (resid 33 and name hb#)(resid 20 and name hb#) 2.0 0.2 4.5
assign  (resid 33 and name hb#)(resid 20 and name hg#) 2.0 0.2 4.5
assign  (resid 33 and name hb#)(resid 22 and name hb#) 2.0 0.2 4.5
assign  (resid 33 and name hb#)(resid 22 and name hd#) 2.0 0.2 6.0
assign  (resid 33 and name hb#)(resid 34 and name ha) 2.0 0.2 4.5
assign  (resid 33 and name hb#)(resid 34 and name hg#) 2.0 0.2 4.5
assign  (resid 33 and name hb#)(resid 36 and name hg1#) 2.0 0.2 4.5

!E34
assign (resid 34 and name ha)(resid 37 and name hb1) 2.0 0.2 4.0
assign  (resid 34 and name ha)(resid 37 and name hb2) 2.0 0.2 0.7
!!
assign  (resid 34 and name hb#)(resid 38 and name hg#) 2.0 0.2 4.5

!C35
assign  (resid 35 and name ha)(resid 34 and name hb#) 2.0 0.2 4.5
assign  (resid 35 and name ha)(resid 38 and name hb2) 2.0 0.2 1.5
!!
assign  (resid 35 and name hb1)(resid 10 and name hb) 2.0 0.2 0.7
assign  (resid 35 and name hb1)(resid 10 and name hg1#) 2.0 0.2 4.5
assign  (resid 35 and name hb1)(resid 10 and name hg2#) 2.0 0.2 2.2
assign  (resid 35 and name hb1)(resid 32 and name hb2) 2.0 0.2 3.0
!!
assign  (resid 35 and name hb2)(resid 10 and name hb) 2.0 0.2 3.0
assign  (resid 35 and name hb2)(resid 10 and name hg1#) 2.0 0.2 4.5
assign  (resid 35 and name hb2)(resid 10 and name hg2#) 2.0 0.2 4.5
assign  (resid 35 and name hb2)(resid 11 and name ha) 2.0 0.2 4.0
assign  (resid 35 and name hb2)(resid 32 and name hb1) 2.0 0.2 1.5
assign  (resid 35 and name hb2)(resid 32 and name hb2) 2.0 0.2 0.7

!V36
assign  (resid 36 and name ha)(resid 39 and name hb1) 2.0 0.2 1.0
!!
assign  (resid 36 and name hb)(resid 21 and name ha) 2.0 0.2 3.0
assign  (resid 36 and name hb)(resid 31 and name hb1) 2.0 0.2 1.5
assign  (resid 36 and name hb)(resid 31 and name hb2) 2.0 0.2 0.7
assign  (resid 36 and name hb)(resid 31 and name hd#) 2.0 0.2 5.5 ! +2.5
!!
assign (resid 36 and name hg1#)(resid 22 and name hb#) 2.0 0.2 4.5
assign  (resid 36 and name hg1#)(resid 22 and name hg1) 2.0 0.2 3.0
assign  (resid 36 and name hg1#)(resid 22 and name hg2) 2.0 0.2 3.0
assign  (resid 36 and name hg1#)(resid 22 and name hd#) 2.0 0.2 4.5
assign  (resid 36 and name hg1#)(resid 31 and name hb1) 2.0 0.2 4.5
assign  (resid 36 and name hg1#)(resid 31 and name hb2) 2.0 0.2 3.0
assign  (resid 36 and name hg1#)(resid 31 and name hd#) 2.0 0.2 7.0 ! +2.5
assign  (resid 36 and name hg1#)(resid 37 and name ha) 2.0 0.2 4.5
!!
assign  (resid 36 and name hg2#)(resid 31 and name hb1) 2.0 0.2 4.5
assign  (resid 36 and name hg2#)(resid 31 and name hb2) 2.0 0.2 3.0
assign  (resid 36 and name hg2#)(resid 31 and name hd#) 2.0 0.2 5.5     ! +2.5
assign  (resid 36 and name hg2#)(resid 31 and name he#) 2.0 0.2 7.0
assign  (resid 36 and name hg2#)(resid 39 and name hb#) 2.0 0.2 5.0
assign  (resid 36 and name hg2#)(resid 40 and name hg) 2.0 0.2 3.0
assign  (resid 36 and name hg2#)(resid 40 and name hd1#) 2.0 0.2 4.5 !1.5

!D37
assign  (resid 37 and name ha)(resid 40 and name hb1) 2.0 0.2 3.0
assign  (resid 37 and name ha)(resid 40 and name hb2) 2.0 0.2 1.0
assign  (resid 37 and name ha)(resid 40 and name hd1#) 2.0 0.2 3.0
!!
assign  (resid 37 and name hb1)(resid 38 and name hg#) 2.0 0.2 3.0
assign  (resid 37 and name hb2)(resid 38 and name hg#) 2.0 0.2 4.5

!M38

!W39
assign  (resid 39 and name hb#)(resid 10 and name hg1#) 2.0 0.2 5.0
assign  (resid 39 and name hb#)(resid 10 and name hg2#) 2.0 0.2 6.0
assign  (resid 39 and name hb#)(resid 36 and name hg2#) 2.0 0.2 6.0
assign  (resid 39 and name hb#)(resid 40 and name hd2#) 2.0 0.2 4.5
!!
assign (resid 39 and name hd1)(resid 36 and name ha) 2.0 0.2 3.0
assign  (resid 39 and name hd1)(resid 40 and name ha) 2.0 0.2 3.0
assign (resid 39 and name hd1)(resid 40 and name hg) 2.0 0.2 3.0
assign (resid 39 and name hd1)(resid 40 and name hd2#) 2.0 0.2 4.0 !1.0
assign (resid 39 and name hd1)(resid 47 and name hd1) 2.0 0.2 1.5
assign (resid 39 and name hd1)(resid 47 and name hd2) 2.0 0.2 3.0
!!
assign (resid 39 and name he3)(resid 10 and name ha) 2.0 0.2 3.0
assign  (resid 39 and name he3)(resid 10 and name hg1#) 2.0 0.2 3.0
assign (resid 39 and name he3)(resid 10 and name hg2#) 2.0 0.2 4.5

!L40

!G41

!S42

!H43

!S44
!assign (resid 44 and name ha)(resid 40 and name hd1#) 2.0 0.2 3.0
assign  (resid 44 and name ha)(resid 53 and name hg2#) 2.0 0.2 4.5

!T45
assign  (resid 45 and name ha)(resid 52 and name ha) 2.0 0.2 0.7
assign  (resid 45 and name ha)(resid 52 and name hb) 2.0 0.2 2.0
assign  (resid 45 and name ha)(resid 53 and name hg2#) 2.0 0.2 3.0

!C46
assign  (resid 46 and name ha)(resid 53 and name hg2#) 2.0 0.2 4.5
assign  (resid 46 and name ha)(resid 47 and name ha) 2.0 0.2 3.0

!P47
assign (resid 47 and name ha)(resid 39 and name hz2) 2.0 0.2 1.5
assign (resid 47 and name ha)(resid 50 and name hg#) 2.0 0.2 4.5
!
assign  (resid 47 and name hb1)(resid 31 and name he#) 2.0 0.2 5.5 ! +2.5
assign  (resid 47 and name hb1)(resid 50 and name hg#) 2.0 0.2 4.5
!
assign  (resid 47 and name hg1)(resid 39 and name hz2) 2.0 0.2 4.0
!
assign  (resid 47 and name hd1)(resid 31 and name hz) 2.0 0.2 3.0
assign  (resid 47 and name hd1)(resid 36 and name hg2#) 2.0 0.2 5.5
assign  (resid 47 and name hd1)(resid 39 and name hd1) 2.0 0.2 3.0
assign  (resid 47 and name hd1)(resid 46 and name ha) 2.0 0.2 0.7
!
assign  (resid 47 and name hd2)(resid 31 and name he#) 2.0 0.2 5.5 ! +2.5
assign  (resid 47 and name hd2)(resid 31 and name hz) 2.0 0.2 1.5
assign  (resid 47 and name hd2)(resid 36 and name hg2#) 2.0 0.2 4.5
assign (resid 47 and name hd2)(resid 46 and name ha) 2.0 0.2 1.5


!L48

!C49
assign (resid 49 and name hb1)(resid 48 and name hb1) 2.0 0.2 3.0

!R50
!!
assign (resid 50 and name ha)(resid 45 and name hb) 2.0 0.2 0.7
assign  (resid 50 and name ha)(resid 45 and name hg2#) 2.0 0.2 3.0
assign  (resid 50 and name ha)(resid 46 and name hb1) 2.0 0.2 3.0

!L51
assign (resid 51 and name ha)(resid 45 and name hg2#) 2.0 0.2 4.5
!!
assign  (resid 51 and name hb1)(resid 26 and name hd#) 2.0 0.2 3.0
assign  (resid 51 and name hb2)(resid 26 and name hd#) 2.0 0.2 3.0

!T52
assign  (resid 52 and name ha)(resid 45 and name hg2#) 2.0 0.2 2.2
assign  (resid 52 and name ha)(resid 53 and name hg2#) 2.0 0.2 4.5
!!
assign  (resid 52 and name hb)(resid 45 and name hg2#) 2.0 0.2 4.5

!V53
assign  (resid 53 and name ha)(resid 26 and name hd#) 2.0 0.2 4.5
assign (resid 53 and name ha)(resid 52 and name hg2#) 2.0 0.2 4.5

!V54

!V55



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