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
6410 1iym 5459 cing 1-original 1 XPLOR/CNS distance NOE simple



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

!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!P25 Hd->
assign (resid 25 and name hd1)(resid 24 and name ha) 2.0 0.2 0.7
assign (resid 25 and name hd2)(resid 24 and name ha) 2.0 0.2 0.7
assign (resid 25 and name hd#)(resid 24 and name hb1) 2.0 0.2 2.2
assign (resid 25 and name hd1)(resid 24 and name hd2#) 2.0 0.2 4.5
assign (resid 25 and name hd2)(resid 24 and name hd2#) 2.0 0.2 4.5
assign (resid 25 and name hd2)(resid 24 and name hd1#) 2.0 0.2 4.5

!P47 Hd->
assign (resid 47 and name hd1)(resid 46 and name ha) 2.0 0.2 0.7
assign (resid 47 and name hd2)(resid 46 and name ha) 2.0 0.2 0.7
assign (resid 47 and name hd2)(resid 46 and name hb1) 2.0 0.2 3.0
assign (resid 47 and name hd2)(resid 46 and name hb2) 2.0 0.2 3.0

!W39 indole HN1->
assign  (resid 39 and name he1)(resid 40 and name hd2#) 2.0 0.2 4.5
assign  (resid 39 and name he1)(resid 43 and name hb1) 2.0 0.2 1.5
assign  (resid 39 and name he1)(resid 43 and name hb2) 2.0 0.2 1.5
assign (resid 39 and name he1)(resid 47 and name ha) 2.0 0.2 1.5
assign  (resid 39 and name he1)(resid 47 and name hd#) 2.0 0.2 3.0
assign (resid 39 and name he1)(resid 48 and name ha) 2.0 0.2 4.0
assign  (resid 39 and name he1)(resid 50 and name hd#) 2.0 0.2 4.5
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!

!A1

!M2

!D3
!! intra-
assign (resid  3 and name hn)(resid  3 and name ha) 2.0 0.2 1.5
assign  (resid  3 and name hn)(resid  3 and name hb1) 2.0 0.2 1.5
!! i-1
assign (resid  3 and name hn)(resid  2 and name ha) 2.0 0.2 0.7
assign  (resid  3 and name hn)(resid  2 and name hb#) 2.0 0.2 3.0
assign  (resid  3 and name hn)(resid  2 and name hg#) 2.0 0.2 4.5

!D4
!! intra-
assign (resid  4 and name hn)(resid  4 and name ha) 2.0 0.2 1.5
assign  (resid  4 and name hn)(resid  4 and name hb#) 2.0 0.2 3.0
!! i-1
assign  (resid  4 and name hn)(resid  3 and name ha) 2.0 0.2 1.5

!G5
!! intra-
assign (resid  5 and name hn)(resid  5 and name ha1) 2.0 0.2 1.5
assign  (resid  5 and name hn)(resid  5 and name ha2) 2.0 0.2 1.5
!! i-1
assign (resid  5 and name hn)(resid  4 and name ha) 2.0 0.2 1.5
assign  (resid  5 and name hn)(resid  4 and name hb#) 2.0 0.2 4.5
!! 
!assign  (resid  5 and name hn)(resid 39 and name hd1) 2.0 0.2 1.5 !W39

!V6
!! intra-
assign (resid  6 and name hn)(resid  6 and name ha) 2.0 0.2 1.5
assign  (resid  6 and name hn)(resid  6 and name hb) 2.0 0.2 0.7
assign  (resid  6 and name hn)(resid  6 and name hg1#) 2.0 0.2 4.5
assign  (resid  6 and name hn)(resid  6 and name hg2#) 2.0 0.2 2.5
!! i-1
assign (resid  6 and name hn)(resid  5 and name ha#) 2.0 0.2 2.2

!E7
!! intra-
assign (resid  7 and name hn)(resid  7 and name ha) 2.0 0.2 1.5
assign (resid  7 and name hn)(resid  7 and name hb1) 2.0 0.2 3.0
assign (resid  7 and name hn)(resid  7 and name hb2) 2.0 0.2 1.0
assign  (resid  7 and name hn)(resid  7 and name hg#) 2.0 0.2 3.0
!! i-1
assign (resid  7 and name hn)(resid  6 and name ha) 2.0 0.2 0.7
assign  (resid  7 and name hn)(resid  6 and name hb) 2.0 0.2 3.0
assign  (resid  7 and name hn)(resid  6 and name hg1#) 2.0 0.2 3.0
assign  (resid  7 and name hn)(resid  6 and name hg2#) 2.0 0.2 4.5

!C8
!! intra-
assign (resid  8 and name hn)(resid  8 and name ha) 2.0 0.2 1.5
assign  (resid  8 and name hn)(resid  8 and name hb1) 2.0 0.2 0.7
assign  (resid  8 and name hn)(resid  8 and name hb2) 2.0 0.2 1.5
!! i-1
assign (resid  8 and name hn)(resid  7 and name ha) 2.0 0.2 0.7
assign  (resid  8 and name hn)(resid  7 and name hb1) 2.0 0.2 1.5
assign  (resid  8 and name hn)(resid  7 and name hb2) 2.0 0.2 3.0
assign  (resid  8 and name hn)(resid  7 and name hg#) 2.0 0.2 4.5
!!
assign (resid  8 and name hn)(resid 14 and name ha) 2.0 0.2 3.0
assign (resid  8 and name hn)(resid 15 and name hb2) 2.0 0.2 4.0
assign (resid  8 and name hn)(resid 15 and name hd1#) 2.0 0.2 4.5

!A9
!! intra-
assign (resid  9 and name hn)(resid  9 and name ha) 2.0 0.2 1.5
assign  (resid  9 and name hn)(resid  9 and name hb#) 2.0 0.2 2.2
!! i-1
assign (resid  9 and name hn)(resid  8 and name ha) 2.0 0.2 0.7
assign  (resid  9 and name hn)(resid  8 and name hb1) 2.0 0.2 3.0
assign  (resid  9 and name hn)(resid  8 and name hb2) 2.0 0.2 3.0
!!
assign  (resid  9 and name hn)(resid 31 and name ha) 2.0 0.2 3.0
assign  (resid  9 and name hn)(resid 31 and name hd1) 2.0 0.2 0.7
assign  (resid  9 and name hn)(resid 31 and name he1) 2.0 0.2 1.5

!V10
!! intra-
assign (resid 10 and name hn)(resid 10 and name ha) 2.0 0.2 1.5
assign  (resid 10 and name hn)(resid 10 and name hb) 2.0 0.2 0.7
assign  (resid 10 and name hn)(resid 10 and name hg1#) 2.0 0.2 4.5
assign  (resid 10 and name hn)(resid 10 and name hg2#) 2.0 0.2 3.0
!! i-1
assign (resid 10 and name hn)(resid  9 and name hn) 2.0 0.2 0.7
assign  (resid 10 and name hn)(resid  9 and name ha) 2.0 0.2 3.0
assign  (resid 10 and name hn)(resid  9 and name hb#) 2.0 0.2 3.0
!!
assign (resid 10 and name hn)(resid  8 and name ha) 2.0 0.2 3.0
assign  (resid 10 and name hn)(resid  8 and name hb1) 2.0 0.2 3.0
assign  (resid 10 and name hn)(resid 31 and name hd1) 2.0 0.2 1.5
assign  (resid 10 and name hn)(resid 31 and name he1) 2.0 0.2 4.5
assign  (resid 10 and name hn)(resid 35 and name hb#) 2.0 0.2 3.5

!C11
!! intra-
assign (resid 11 and name hn)(resid 11 and name ha) 2.0 0.2 1.5
assign  (resid 11 and name hn)(resid 11 and name hb1) 2.0 0.2 1.5
assign  (resid 11 and name hn)(resid 11 and name hb2) 2.0 0.2 3.0
!! i-1
assign (resid 11 and name hn)(resid 10 and name hn) 2.0 0.2 0.7
assign  (resid 11 and name hn)(resid 10 and name ha) 2.0 0.2 3.0
assign  (resid 11 and name hn)(resid 10 and name hb) 2.0 0.2 1.5
assign  (resid 11 and name hn)(resid 10 and name hg1#) 2.0 0.2 4.5
assign  (resid 11 and name hn)(resid 10 and name hg2#) 2.0 0.2 5.5
!!
assign  (resid 11 and name hn)(resid  8 and name hb1) 2.0 0.2 3.0
assign  (resid 11 and name hn)(resid 35 and name hb#) 2.0 0.2 4.5

!L12
!! intra-
assign (resid 12 and name hn)(resid 12 and name ha) 2.0 0.2 0.7
assign  (resid 12 and name hn)(resid 12 and name hb1) 2.0 0.2 2.0
assign  (resid 12 and name hn)(resid 12 and name hb2) 2.0 0.2 3.0
assign  (resid 12 and name hn)(resid 12 and name hg) 2.0 0.2 2.0
assign  (resid 12 and name hn)(resid 12 and name hd1#) 2.0 0.2 3.0
assign  (resid 12 and name hn)(resid 12 and name hd2#) 2.0 0.2 4.5
!! i-1
assign (resid 12 and name hn)(resid 11 and name hn) 2.0 0.2 0.7
assign  (resid 12 and name hn)(resid 11 and name ha) 2.0 0.2 3.0
assign  (resid 12 and name hn)(resid 11 and name hb2) 2.0 0.2 4.0
!!
assign  (resid 12 and name hn)(resid  8 and name hb1) 2.0 0.2 3.0
assign  (resid 12 and name hn)(resid  9 and name ha) 2.0 0.2 3.0

!A13
!! intra-
assign (resid 13 and name hn)(resid 13 and name ha) 2.0 0.2 1.5
assign  (resid 13 and name hn)(resid 13 and name hb#) 2.0 0.2 2.2
!! i-1
assign  (resid 13 and name hn)(resid 12 and name hn) 2.0 0.2 0.7
assign  (resid 13 and name hn)(resid 12 and name ha) 2.0 0.2 1.5
assign  (resid 13 and name hn)(resid 12 and name hb2) 2.0 0.2 4.0
!!
assign  (resid 13 and name hn)(resid  7 and name hg#) 2.0 0.2 4.5
assign  (resid 13 and name hn)(resid  8 and name hb1) 2.0 0.2 1.5
assign  (resid 13 and name hn)(resid  8 and name hb2) 2.0 0.2 3.0

!E14
!! intra-
assign (resid 14 and name hn)(resid 14 and name ha) 2.0 0.2 1.5
assign  (resid 14 and name hn)(resid 14 and name hb#) 2.0 0.2 2.2
assign  (resid 14 and name hn)(resid 14 and name hg1) 2.0 0.2 1.5
assign  (resid 14 and name hn)(resid 14 and name hg2) 2.0 0.2 3.0
!! i-1
assign  (resid 14 and name hn)(resid 13 and name ha) 2.0 0.2 0.7
assign  (resid 14 and name hn)(resid 13 and name hb#) 2.0 0.2 2.2
!!
assign  (resid 14 and name hn)(resid  7 and name ha) 2.0 0.2 4.0

!L15
!! intra-
assign (resid 15 and name hn)(resid 15 and name ha) 2.0 0.2 1.5
assign  (resid 15 and name hn)(resid 15 and name hb1) 2.0 0.2 2.0
assign  (resid 15 and name hn)(resid 15 and name hb2) 2.0 0.2 1.0
assign  (resid 15 and name hn)(resid 15 and name hg) 2.0 0.2 1.5
!! i-1
assign  (resid 15 and name hn)(resid 14 and name ha) 2.0 0.2 0.7
assign  (resid 15 and name hn)(resid 14 and name hb#) 2.0 0.2 3.0
assign  (resid 15 and name hn)(resid 14 and name hg#) 2.0 0.2 4.5

!E16
!! intra-
assign (resid 16 and name hn)(resid 16 and name ha) 2.0 0.2 1.5
assign  (resid 16 and name hn)(resid 16 and name hb1) 2.0 0.2 2.0
assign  (resid 16 and name hn)(resid 16 and name hb2) 2.0 0.2 0.7
assign  (resid 16 and name hn)(resid 16 and name hg#) 2.0 0.2 3.0
!! i-1
assign  (resid 16 and name hn)(resid 15 and name ha) 2.0 0.2 0.7
assign  (resid 16 and name hn)(resid 15 and name hb1) 2.0 0.2 3.0
assign  (resid 16 and name hn)(resid 15 and name hb2) 2.0 0.2 3.0
assign  (resid 16 and name hn)(resid 15 and name hg) 2.0 0.2 3.0
assign  (resid 16 and name hn)(resid 15 and name hd2#) 2.0 0.2 4.5

!D17
!! intra-
assign (resid 17 and name hn)(resid 17 and name ha) 2.0 0.2 1.5
assign  (resid 17 and name hn)(resid 17 and name hb#) 2.0 0.2 2.2
!! i-1
assign  (resid 17 and name hn)(resid 16 and name ha) 2.0 0.2 0.7
assign  (resid 17 and name hn)(resid 16 and name hb1) 2.0 0.2 1.5
assign  (resid 17 and name hn)(resid 16 and name hb2) 2.0 0.2 3.0
assign  (resid 17 and name hn)(resid 16 and name hg#) 2.0 0.2 4.5

!G18
!! intra-
assign (resid 18 and name hn)(resid 18 and name ha1) 2.0 0.2 1.5
assign  (resid 18 and name hn)(resid 18 and name ha2) 2.0 0.2 0.7
!! i-1
assign  (resid 18 and name hn)(resid 17 and name hn) 2.0 0.2 3.0
assign  (resid 18 and name hn)(resid 17 and name ha) 2.0 0.2 0.7
assign  (resid 18 and name hn)(resid 17 and name hb#) 2.0 0.2 4.5

!E19
!! intra-
assign (resid 19 and name hn)(resid 19 and name ha) 2.0 0.2 1.5
assign  (resid 19 and name hn)(resid 19 and name hb1) 2.0 0.2 3.0
assign  (resid 19 and name hn)(resid 19 and name hb2) 2.0 0.2 0.7
assign  (resid 19 and name hn)(resid 19 and name hg#) 2.0 0.2 3.0
!! i-1
assign  (resid 19 and name hn)(resid 18 and name hn) 2.0 0.2 1.0
assign  (resid 19 and name hn)(resid 18 and name ha1) 2.0 0.2 3.0
assign  (resid 19 and name hn)(resid 18 and name ha2) 2.0 0.2 3.0

!E20
!! intra-
assign (resid 20 and name hn)(resid 20 and name ha) 2.0 0.2 1.5
assign  (resid 20 and name hn)(resid 20 and name hb1) 2.0 0.2 3.0
assign  (resid 20 and name hn)(resid 20 and name hb2) 2.0 0.2 1.0
assign  (resid 20 and name hn)(resid 20 and name hg#) 2.0 0.2 3.0
!! i-1
assign  (resid 20 and name hn)(resid 19 and name ha) 2.0 0.2 0.7
assign  (resid 20 and name hn)(resid 19 and name hb#) 2.0 0.2 4.5
!!
assign  (resid 20 and name hn)(resid 33 and name hn) 2.0 0.2 1.5

!A21
!! intra-
assign (resid 21 and name hn)(resid 21 and name ha) 2.0 0.2 1.5
assign  (resid 21 and name hn)(resid 21 and name hb#) 2.0 0.2 2.2
!! i-1
assign  (resid 21 and name hn)(resid 20 and name ha) 2.0 0.2 0.7
assign  (resid 21 and name hn)(resid 20 and name hb#) 2.0 0.2 4.5
assign  (resid 21 and name hn)(resid 20 and name hg#) 2.0 0.2 4.5
!!
assign  (resid 21 and name hn)(resid 33 and name hb#) 2.0 0.2 4.5

!R22
!! intra-
assign (resid 22 and name hn)(resid 22 and name ha) 2.0 0.2 1.5
assign  (resid 22 and name hn)(resid 22 and name hb1) 2.0 0.2 3.0
assign  (resid 22 and name hn)(resid 22 and name hb2) 2.0 0.2 1.0
assign  (resid 22 and name hn)(resid 22 and name hg#) 2.0 0.2 4.5
!! i-1
assign  (resid 22 and name hn)(resid 21 and name ha) 2.0 0.2 0.7
assign  (resid 22 and name hn)(resid 21 and name hb#) 2.0 0.2 2.2
!! 
assign  (resid 22 and name hn)(resid 31 and name hn) 2.0 0.2 1.5
assign  (resid 22 and name hn)(resid 32 and name ha) 2.0 0.2 3.0
assign  (resid 22 and name hn)(resid 33 and name ha) 2.0 0.2 4.0

!F23
!! intra-
assign (resid 23 and name hn)(resid 23 and name ha) 2.0 0.2 1.5
assign  (resid 23 and name hn)(resid 23 and name hb1) 2.0 0.2 3.0
assign  (resid 23 and name hn)(resid 23 and name hb2) 2.0 0.2 1.0
assign  (resid 23 and name hn)(resid 23 and name hd2) 2.0 0.2 1.5
!! i-1
assign  (resid 23 and name hn)(resid 22 and name ha) 2.0 0.2 0.7
assign  (resid 23 and name hn)(resid 22 and name hb1) 2.0 0.2 1.5
assign  (resid 23 and name hn)(resid 22 and name hg#) 2.0 0.2 4.5

!L24
!! intra-
assign (resid 24 and name hn)(resid 24 and name ha) 2.0 0.2 1.5
assign  (resid 24 and name hn)(resid 24 and name hb1) 2.0 0.2 3.0
assign  (resid 24 and name hn)(resid 24 and name hb2) 2.0 0.2 0.7
assign  (resid 24 and name hn)(resid 24 and name hg) 2.0 0.2 1.0
!! i-1
assign  (resid 24 and name hn)(resid 23 and name ha) 2.0 0.2 0.7
assign  (resid 24 and name hn)(resid 23 and name hb1) 2.0 0.2 3.0
assign  (resid 24 and name hn)(resid 23 and name hd1) 2.0 0.2 4.0
!!
assign  (resid 24 and name hn)(resid 29 and name hn) 2.0 0.2 1.5
assign  (resid 24 and name hn)(resid 30 and name ha2) 2.0 0.2 3.0

!P25

!R26
!! intra-
assign (resid 26 and name hn)(resid 26 and name ha) 2.0 0.2 1.5
assign  (resid 26 and name hn)(resid 26 and name hb1) 2.0 0.2 3.0
assign  (resid 26 and name hn)(resid 26 and name hb2) 2.0 0.2 0.7
assign  (resid 26 and name hn)(resid 26 and name hg1) 2.0 0.2 1.5
!! i-1
assign  (resid 26 and name hn)(resid 25 and name ha) 2.0 0.2 3.0

!C27
!! intra-
assign (resid 27 and name hn)(resid 27 and name ha) 2.0 0.2 1.5
assign  (resid 27 and name hn)(resid 27 and name hb1) 2.0 0.2 1.5
assign  (resid 27 and name hn)(resid 27 and name hb2) 2.0 0.2 3.0
!! i-1
assign  (resid 27 and name hn)(resid 26 and name hn) 2.0 0.2 1.0
assign  (resid 27 and name hn)(resid 26 and name ha) 2.0 0.2 3.0
assign  (resid 27 and name hn)(resid 26 and name hb1) 2.0 0.2 1.5
assign  (resid 27 and name hn)(resid 26 and name hb2) 2.0 0.2 0.7
assign  (resid 27 and name hn)(resid 26 and name hg2) 2.0 0.2 3.0
!!
assign (resid 27 and name hn)(resid 24 and name hb#) 2.0 0.2 4.5

!G28
!! intra-
assign (resid 28 and name hn)(resid 28 and name ha1) 2.0 0.2 1.5
assign  (resid 28 and name hn)(resid 28 and name ha2) 2.0 0.2 1.0
!! i-1
assign (resid 28 and name hn)(resid 27 and name hn) 2.0 0.2 0.7
assign  (resid 28 and name hn)(resid 27 and name ha) 2.0 0.2 3.0
assign  (resid 28 and name hn)(resid 27 and name hb1) 2.0 0.2 4.0
assign  (resid 28 and name hn)(resid 27 and name hb2) 2.0 0.2 4.0
!!
assign  (resid 28 and name hn)(resid 24 and name hb#) 2.0 0.2 4.5

!H29
!! intra-
assign (resid 29 and name hn)(resid 29 and name ha) 2.0 0.2 1.5
assign  (resid 29 and name hn)(resid 29 and name hb1) 2.0 0.2 2.0
assign  (resid 29 and name hn)(resid 29 and name hb2) 2.0 0.2 0.7
!! i-1
assign  (resid 29 and name hn)(resid 28 and name hn) 2.0 0.2 0.7
assign  (resid 29 and name hn)(resid 28 and name ha1) 2.0 0.2 3.0
assign  (resid 29 and name hn)(resid 28 and name ha2) 2.0 0.2 1.5
!!
assign  (resid 29 and name hn)(resid 24 and name hb#) 2.0 0.2 3.0
assign  (resid 29 and name hn)(resid 27 and name hb#) 2.0 0.2 4.5

!G30
!! intra-
assign (resid 30 and name hn)(resid 30 and name ha1) 2.0 0.2 1.0
assign (resid 30 and name hn)(resid 30 and name ha2) 2.0 0.2 1.5

!! i-1
assign (resid 30 and name hn)(resid 29 and name ha) 2.0 0.2 0.7
assign  (resid 30 and name hn)(resid 29 and name hb1) 2.0 0.2 1.5
assign  (resid 30 and name hn)(resid 29 and name hb2) 2.0 0.2 3.0
assign  (resid 30 and name hn)(resid 29 and name hd2) 2.0 0.2 3.0
!! i+1
assign  (resid 30 and name hn)(resid 31 and name hd2) 2.0 0.2 3.0
assign  (resid 30 and name hn)(resid 31 and name he2) 2.0 0.2 4.0

!F31
!! intra-
assign (resid 31 and name hn)(resid 31 and name ha) 2.0 0.2 1.5
assign  (resid 31 and name hn)(resid 31 and name hb1) 2.0 0.2 3.0
assign  (resid 31 and name hn)(resid 31 and name hb2) 2.0 0.2 1.5
assign  (resid 31 and name hn)(resid 31 and name hd2) 2.0 0.2 1.5
!! i-1
assign  (resid 31 and name hn)(resid 30 and name ha1) 2.0 0.2 1.5
assign  (resid 31 and name hn)(resid 30 and name ha2) 2.0 0.2 0.7
!!
assign  (resid 31 and name hn)(resid 15 and name hd1#) 2.0 0.2 5.5
assign  (resid 31 and name hn)(resid 21 and name ha) 2.0 0.2 4.0
assign  (resid 31 and name hn)(resid 21 and name hb#) 2.0 0.2 5.5
assign  (resid 31 and name hn)(resid 23 and name ha) 2.0 0.2 3.0

!H32
!! intra-
assign (resid 32 and name hn)(resid 32 and name ha) 2.0 0.2 1.5
assign  (resid 32 and name hn)(resid 32 and name hb1) 2.0 0.2 3.0
assign  (resid 32 and name hn)(resid 32 and name hb2) 2.0 0.2 1.0
!! i-1
assign  (resid 32 and name hn)(resid 31 and name ha) 2.0 0.2 1.5
assign  (resid 32 and name hn)(resid 31 and name hb1) 2.0 0.2 3.0
assign  (resid 32 and name hn)(resid 31 and name hb2) 2.0 0.2 1.5
!!
assign  (resid 31 and name hn)(resid 15 and name hd1#) 2.0 0.2 5.5
assign  (resid 32 and name hn)(resid 35 and name hb1) 2.0 0.2 3.5
assign  (resid 32 and name hn)(resid 35 and name hb2) 2.0 0.2 1.5

!A33
!! intra-
assign  (resid 33 and name hn)(resid 33 and name ha) 2.0 0.2 1.5
assign  (resid 33 and name hn)(resid 33 and name hb#) 2.0 0.2 2.2
!! i-1
assign (resid 33 and name hn)(resid 32 and name ha) 2.0 0.2 0.7
assign  (resid 33 and name hn)(resid 32 and name hb1) 2.0 0.2 1.5
assign  (resid 33 and name hn)(resid 32 and name hb2) 2.0 0.2 3.0
!!
assign  (resid 33 and name hn)(resid 21 and name ha) 2.0 0.2 1.5
assign  (resid 33 and name hn)(resid 21 and name hb#) 2.0 0.2 4.5
assign  (resid 33 and name hn)(resid 22 and name hb#) 2.0 0.2 4.5

!E34
!! intra-
assign (resid 34 and name hn)(resid 34 and name ha) 2.0 0.2 1.5
assign  (resid 34 and name hn)(resid 34 and name hb#) 2.0 0.2 2.2
assign  (resid 34 and name hn)(resid 34 and name hg#) 2.0 0.2 3.0
!! i-1
assign  (resid 34 and name hn)(resid 33 and name hn) 2.0 0.2 0.7
assign  (resid 34 and name hn)(resid 33 and name ha) 2.0 0.2 3.0
assign  (resid 34 and name hn)(resid 33 and name hb#) 2.0 0.2 2.2
!!
assign  (resid 34 and name hn)(resid 32 and name hb1) 2.0 0.2 1.5
assign  (resid 34 and name hn)(resid 32 and name hb2) 2.0 0.2 3.0

!C35
!! intra-
assign (resid 35 and name hn)(resid 35 and name ha) 2.0 0.2 1.5
assign  (resid 35 and name hn)(resid 35 and name hb1) 2.0 0.2 3.0
assign  (resid 35 and name hn)(resid 35 and name hb2) 2.0 0.2 0.7
!! i-1
assign  (resid 35 and name hn)(resid 34 and name hn) 2.0 0.1 0.7
assign  (resid 35 and name hn)(resid 34 and name ha) 2.0 0.2 3.0
assign  (resid 35 and name hn)(resid 34 and name hb#) 2.0 0.2 3.0
assign  (resid 35 and name hn)(resid 34 and name hg#) 2.0 0.2 4.5
!!
assign  (resid 35 and name hn)(resid 32 and name hb1) 2.0 0.2 1.5
assign  (resid 35 and name hn)(resid 32 and name hb2) 2.0 0.2 1.0
assign  (resid 35 and name hn)(resid 33 and name hn) 2.0 0.2 4.0
assign  (resid 35 and name hn)(resid 33 and name ha) 2.0 0.2 3.0

!V36
!! intra-
assign (resid 36 and name hn)(resid 36 and name ha) 2.0 0.2 1.5
assign  (resid 36 and name hn)(resid 36 and name hb) 2.0 0.2 0.7
assign  (resid 36 and name hn)(resid 36 and name hg1#) 2.0 0.2 2.2
assign  (resid 36 and name hn)(resid 36 and name hg2#) 2.0 0.2 4.5
!! i-1
assign  (resid 36 and name hn)(resid 35 and name hn) 2.0 0.2 0.7
assign  (resid 36 and name hn)(resid 35 and name ha) 2.0 0.2 3.0
assign  (resid 36 and name hn)(resid 35 and name hb1) 2.0 0.2 3.0
assign  (resid 36 and name hn)(resid 35 and name hb2) 2.0 0.2 1.0
!!
assign  (resid 36 and name hn)(resid 31 and name hb2) 2.0 0.2 4.0
assign  (resid 36 and name hn)(resid 32 and name hb1) 2.0 0.2 1.5
assign  (resid 36 and name hn)(resid 32 and name hb2) 2.0 0.2 1.0
assign  (resid 36 and name hn)(resid 33 and name ha) 2.0 0.2 2.0
assign  (resid 36 and name hn)(resid 34 and name hn) 2.0 0.2 4.0

!D37
!! intra-
assign (resid 37 and name hn)(resid 37 and name ha) 2.0 0.2 1.5
assign  (resid 37 and name hn)(resid 37 and name hb1) 2.0 0.2 3.0
assign  (resid 37 and name hn)(resid 37 and name hb2) 2.0 0.2 1.0
!! i-1
assign  (resid 37 and name hn)(resid 36 and name hn) 2.0 0.2 0.7
assign  (resid 37 and name hn)(resid 36 and name ha) 2.0 0.2 3.0
assign  (resid 37 and name hn)(resid 36 and name hb) 2.0 0.2 3.0
assign  (resid 37 and name hn)(resid 36 and name hg1#) 2.0 0.2 2.2
assign  (resid 37 and name hn)(resid 36 and name hg2#) 2.0 0.2 5.5
!!
assign  (resid 37 and name hn)(resid 33 and name ha) 2.0 0.2 3.0
assign  (resid 37 and name hn)(resid 34 and name ha) 2.0 0.2 2.0
assign  (resid 37 and name hn)(resid 35 and name hn) 2.0 0.2 3.0

!M38
!! intra-
assign (resid 38 and name hn)(resid 38 and name ha) 2.0 0.2 1.5
assign  (resid 38 and name hn)(resid 38 and name hb1) 2.0 0.2 3.0
assign  (resid 38 and name hn)(resid 38 and name hb2) 2.0 0.2 1.0
!! i-1
assign  (resid 38 and name hn)(resid 37 and name hn) 2.0 0.2 0.7
assign  (resid 38 and name hn)(resid 37 and name ha) 2.0 0.2 3.0
assign  (resid 38 and name hn)(resid 37 and name hb1) 2.0 0.2 3.0
assign  (resid 38 and name hn)(resid 37 and name hb2) 2.0 0.2 1.5
!!
assign  (resid 38 and name hn)(resid 35 and name ha) 2.0 0.2 3.5

!W39
!! intra-
assign (resid 39 and name hn)(resid 39 and name ha) 2.0 0.2 1.5
assign  (resid 39 and name hn)(resid 39 and name hb1) 2.0 0.2 1.0
assign  (resid 39 and name hn)(resid 39 and name hb2) 2.0 0.2 1.0
!! i-1
assign  (resid 39 and name hn)(resid 38 and name hn) 2.0 0.2 0.7
assign  (resid 39 and name hn)(resid 38 and name ha) 2.0 0.2 3.0
assign  (resid 39 and name hn)(resid 38 and name hb2) 2.0 0.2 1.5
!!
assign  (resid 39 and name hn)(resid 36 and name ha) 2.0 0.2 1.5

!L40
!! intra-
assign (resid 40 and name hn)(resid 40 and name ha) 2.0 0.2 1.5
assign  (resid 40 and name hn)(resid 40 and name hb1) 2.0 0.2 3.0
assign  (resid 40 and name hn)(resid 40 and name hb2) 2.0 0.2 1.0
assign  (resid 40 and name hn)(resid 40 and name hg) 2.0 0.2 1.0
!! i-1
assign  (resid 40 and name hn)(resid 39 and name hn) 2.0 0.2 0.7
assign  (resid 40 and name hn)(resid 39 and name ha) 2.0 0.2 3.0
assign  (resid 40 and name hn)(resid 39 and name hb1) 2.0 0.2 1.5
assign  (resid 40 and name hn)(resid 39 and name hb2) 2.0 0.2 3.0
assign  (resid 40 and name hn)(resid 39 and name hd1) 2.0 0.2 2.0
!!
assign  (resid 40 and name hn)(resid 36 and name ha) 2.0 0.2 4.0
assign  (resid 40 and name hn)(resid 37 and name ha) 2.0 0.2 1.5

!G41: C-cap of alpha-helix
!! intra-
assign  (resid 41 and name hn)(resid 41 and name ha1) 2.0 0.2 1.5
assign  (resid 41 and name hn)(resid 41 and name ha2) 2.0 0.2 0.7
!! i-1
assign (resid 41 and name hn)(resid 40 and name hn) 2.0 0.2 0.7
assign  (resid 41 and name hn)(resid 40 and name ha) 2.0 0.2 3.0
assign  (resid 41 and name hn)(resid 40 and name hb1) 2.0 0.2 3.0
assign  (resid 41 and name hn)(resid 40 and name hb2) 2.0 0.2 1.5
!!
assign  (resid 41 and name hn)(resid 37 and name ha) 2.0 0.2 4.0
assign  (resid 41 and name hn)(resid 38 and name ha) 2.0 0.2 3.0

!S42

!H43

!S44

!T45
!! intra-
assign (resid 45 and name hn)(resid 45 and name ha) 2.0 0.2 1.5
assign  (resid 45 and name hn)(resid 45 and name hb) 2.0 0.2 3.0
assign  (resid 45 and name hn)(resid 45 and name hg2#) 2.0 0.2 3.0
!! i-1
!!
assign  (resid 45 and name hn)(resid 43 and name hb#) 2.0 0.2 3.0

!C46
!! intra-
assign (resid 46 and name hn)(resid 46 and name ha) 2.0 0.2 1.5
assign  (resid 46 and name hn)(resid 46 and name hb1) 2.0 0.2 1.5
assign  (resid 46 and name hn)(resid 46 and name hb2) 2.0 0.2 1.5
!! i-1
assign  (resid 46 and name hn)(resid 45 and name ha) 2.0 0.2 0.7
assign  (resid 46 and name hn)(resid 45 and name hb) 2.0 0.2 2.0
assign  (resid 46 and name hn)(resid 45 and name hg2#) 2.0 0.2 4.5
!!
assign  (resid 46 and name hn)(resid 24 and name hd1#) 2.0 0.2 5.5
assign  (resid 46 and name hn)(resid 52 and name ha) 2.0 0.2 1.5
!assign  (resid 46 and name hn)(resid 53 and name hg_h#) 2.0 0.2 4.5

!P47: i+1 of bI-turn

!L48: i+2 of bI-turn
!! intra-
assign (resid 48 and name hn)(resid 48 and name ha) 2.0 0.2 1.5
assign  (resid 48 and name hn)(resid 48 and name hb1) 2.0 0.2 1.0
assign  (resid 48 and name hn)(resid 48 and name hb2) 2.0 0.2 1.0
assign  (resid 48 and name hn)(resid 48 and name hg) 2.0 0.2 3.0
!! i-1
assign  (resid 48 and name hn)(resid 47 and name hd1) 2.0 0.2 4.0
assign  (resid 48 and name hn)(resid 47 and name hd2) 2.0 0.2 1.5
!!
assign  (resid 48 and name hn)(resid 31 and name hd#) 2.0 0.2 6.5 ! +2.5
assign  (resid 48 and name hn)(resid 31 and name he#) 2.0 0.2 5.5 ! +2.5
assign  (resid 48 and name hn)(resid 31 and name hz) 2.0 0.2 2.0
assign  (resid 48 and name hn)(resid 46 and name hb#) 2.0 0.2 4.5

!C49
!! intra-
assign (resid 49 and name hn)(resid 49 and name ha) 2.0 0.2 1.5
assign  (resid 49 and name hn)(resid 49 and name hb1) 2.0 0.2 1.5
assign  (resid 49 and name hn)(resid 49 and name hb2) 2.0 0.2 3.0
!! i-1
assign  (resid 49 and name hn)(resid 48 and name hn) 2.0 0.2 0.7
assign  (resid 49 and name hn)(resid 48 and name ha) 2.0 0.2 3.0
assign  (resid 49 and name hn)(resid 48 and name hb1) 2.0 0.2 1.5
assign  (resid 49 and name hn)(resid 48 and name hb2) 2.0 0.2 3.0
assign  (resid 49 and name hn)(resid 48 and name hg) 2.0 0.2 3.0
!!
assign  (resid 49 and name hn)(resid 46 and name hb1) 2.0 0.2 1.0
assign  (resid 49 and name hn)(resid 46 and name hb2) 2.0 0.2 3.0
assign  (resid 49 and name hn)(resid 50 and name ha) 2.0 0.2 3.0

!R50
!! intra-
assign (resid 50 and name hn)(resid 50 and name ha) 2.0 0.2 0.7
assign  (resid 50 and name hn)(resid 50 and name hb#) 2.0 0.2 3.0
assign  (resid 50 and name hn)(resid 50 and name hg#) 2.0 0.2 3.0
!! i-1
assign  (resid 50 and name hn)(resid 49 and name hn) 2.0 0.2 0.7
assign  (resid 50 and name hn)(resid 49 and name ha) 2.0 0.2 3.0
!!
assign  (resid 50 and name hn)(resid 26 and name hd#) 2.0 0.2 4.5
assign  (resid 50 and name hn)(resid 45 and name hb) 2.0 0.2 3.0
assign  (resid 50 and name hn)(resid 46 and name hb1) 2.0 0.2 0.7
assign  (resid 50 and name hn)(resid 46 and name hb2) 2.0 0.2 3.0

!L51
!! intra-
assign (resid 51 and name hn)(resid 51 and name ha) 2.0 0.2 1.5
assign  (resid 51 and name hn)(resid 51 and name hb1) 2.0 0.2 1.5
assign  (resid 51 and name hn)(resid 51 and name hb2) 2.0 0.2 0.7
assign  (resid 51 and name hn)(resid 51 and name hg) 2.0 0.2 1.5
assign  (resid 51 and name hn)(resid 51 and name hd2#) 2.0 0.2 5.5
!! i-1
assign  (resid 51 and name hn)(resid 50 and name hn) 2.0 0.2 0.7
assign  (resid 51 and name hn)(resid 50 and name ha) 2.0 0.2 3.0
!!
assign  (resid 51 and name hn)(resid 46 and name hb1) 2.0 0.2 1.0
assign  (resid 51 and name hn)(resid 46 and name hb2) 2.0 0.2 4.0

!T52
!! intra-
assign (resid 52 and name hn)(resid 52 and name ha) 2.0 0.2 1.5
assign  (resid 52 and name hn)(resid 52 and name hb) 2.0 0.2 1.5
assign  (resid 52 and name hn)(resid 52 and name hg2#) 2.0 0.2 4.5
!! i-1
assign  (resid 52 and name hn)(resid 51 and name ha) 2.0 0.2 0.7
assign  (resid 52 and name hn)(resid 51 and name hb#) 2.0 0.2 3.0
assign  (resid 52 and name hn)(resid 51 and name hd#) 2.0 0.2 5.5

!V53
!! intra-
assign (resid 53 and name hn)(resid 53 and name ha) 2.0 0.2 1.5
assign (resid 53 and name hn)(resid 53 and name hb) 2.0 0.2 1.0
assign (resid 53 and name hn)(resid 53 and name hg1#) 2.0 0.2 4.5
assign (resid 53 and name hn)(resid 53 and name hg2#) 2.0 0.2 3.0
!! i-1
assign  (resid 53 and name hn)(resid 52 and name ha) 2.0 0.2 0.7
assign  (resid 53 and name hn)(resid 52 and name hb) 2.0 0.2 1.5
assign  (resid 53 and name hn)(resid 52 and name hg2#) 2.0 0.2 3.0
!!
assign  (resid 53 and name hn)(resid 45 and name ha) 2.0 0.2 1.0

!V54
!! intra-
assign (resid 54 and name hn)(resid 54 and name ha) 2.0 0.2 1.5
assign (resid 54 and name hn)(resid 54 and name hb) 2.0 0.2 1.5
assign (resid 54 and name hn)(resid 54 and name hg1#) 2.0 0.2 2.2
!! i-1
assign  (resid 54 and name hn)(resid 53 and name hn) 2.0 0.2 0.7
assign  (resid 54 and name hn)(resid 53 and name ha) 2.0 0.2 3.0
assign  (resid 54 and name hn)(resid 53 and name hb) 2.0 0.2 3.0
!!
assign  (resid 54 and name hn)(resid 52 and name hg2#) 2.0 0.2 3.5

!V55
!! intra-
assign (resid 55 and name hn)(resid 55 and name ha) 2.0 0.2 1.5
!! i-1
assign  (resid 55 and name hn)(resid 54 and name ha) 2.0 0.2 0.7




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