NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
480456 |
1f8h   |
cing | 1-original | 2 | XPLOR/CNS | dihedral angle |
!!
!!
!!
!!
!! eh2_dihe.tbl
!! EH2 DIHEDRAL ANGLE RESTRAINTS FOR XPLOR INPUT
!!
!! INCLUDES PHI (CSI & Jhnha), PSI (CSI)
!!
!! Phi restraints: minimum deviation = 30 degrees -- covered by J-coupling
!! Psi restraints: deviation is set to 60
!!
!! CSI and J-coupling are used together :
!! (accurate determination of small J's is not easy :
!! Kay and Bax J. Magn. Reson. 86 110-126)
!!
!! examples:
!!
!! phi - sheet
!! assign (resid i-1 and name c) (resid i and name n)
!! (resid i and name ca) (resid i and name c) 1 -120.0 30.0 2
!!
!! psi - sheet
!! assign (resid i and name n) (resid i and name ca)
!! (resid i and name c) (resid i+1 and name n) 1 130.0 60.0 2
!!
!! phi - helix
!! assign (resid i-1 and name c) (resid i and name n)
!! (resid i and name ca) (resid i and name c) 1 -60.0 30.0 2
!!
!! psi - helix
!! assign (resid i and name n) (resid i and name ca)
!! (resid i and name c) (resid i+1 and name n) 1 -40.0 60.0 2
!!
!! phi - coil and J < 6 Hz
!! assign (resid i-1 and name c) (resid i and name n)
!! (resid i and name ca) (resid i and name c) 1 60 120.0 2
!!
!!
!! CSI Consensus
!! -------------
!! C 1 - 11
!! H 12 - 23
!! C 24 - 29
!! B 30 - 32
!! C 33 - 36
!! H 37 - 44
!! C 45 - 46
!! H 47 - 57
!! C 58 - 63
!! B 64 - 66
!! H 67 - 82
!! C 83 - 106
!!
!! Angle-constraint per residue
!! D1
!! R2
!! W3
!! G4
!! S5
!! P6
!! W7 --- no info from HMQC-J, too weak
!! A8 --- no info from HMQC-J, too weak
!! V9 --- no info from HMQC-J, too weak
!!
!! K10 --- J-coupling intermediate -
!!
!! P11
!!
!! E12
!! Warning, on the edge of a secondary structure element
!! Jhn-ha = small to intermediate -- CSI = 'H'
!!
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
assign (resid 12 and name n ) (resid 12 and name ca)
(resid 12 and name c ) (resid 13 and name n ) 1.0 -40.0 60.0 2
!!
!! D13
!! Warning, CSI helix conflicts with HMQC-J
!! Jhn-ha = 0.19 ppm (9.6 Hz corr is about 0.5 => 100) - large
!! define angle around -120 increase boundaries
!! left psi out
!!
assign (resid 12 and name c ) (resid 13 and name n )
(resid 13 and name ca) (resid 13 and name c ) 1.0 -120.0 50.0 2
!! assign (resid 13 and name n ) (resid 13 and name ca)
!! (resid 13 and name c ) (resid l4 and name n ) 1.0 130.0 60.0 2
!!
!! K14
!! Jhn-ha = small, -- CSI = 'H'
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
assign (resid 14 and name n ) (resid 14 and name ca)
(resid 14 and name c ) (resid 15 and name n ) 1.0 -40.0 60.0 2
!!
!! A15
!! Jhn-ha = small -- CSI = 'H'
assign (resid 14 and name c ) (resid 15 and name n )
(resid 15 and name ca) (resid 15 and name c ) 1.0 -60.0 30.0 2
assign (resid 15 and name n ) (resid 15 and name ca)
(resid 15 and name c ) (resid 16 and name n ) 1.0 -40.0 60.0 2
!!
!! K16
!! Jhn-ha = 0.11p (5.6 Hz) -- intermediate -- CSI = 'H' -- LOOSER
assign (resid 15 and name c ) (resid 16 and name n )
(resid 16 and name ca) (resid 16 and name c ) 1.0 -60.0 30.0 2
assign (resid 16 and name n ) (resid 16 and name ca)
(resid 16 and name c ) (resid 17 and name n ) 1.0 -40.0 60.0 2
!!
!! Y17
!! Jhn-ha = small -- CSI = 'H'
assign (resid 16 and name c ) (resid 17 and name n )
(resid 17 and name ca) (resid 17 and name c ) 1.0 -60.0 30.0 2
assign (resid 17 and name n ) (resid 17 and name ca)
(resid 17 and name c ) (resid 18 and name n ) 1.0 -40.0 60.0 2
!!
!! D18
!! Jhn-ha = small -- CSI = 'H'
assign (resid 17 and name c ) (resid 18 and name n )
(resid 18 and name ca) (resid 18 and name c ) 1.0 -60.0 30.0 2
assign (resid 18 and name n ) (resid 18 and name ca)
(resid 18 and name c ) (resid 19 and name n ) 1.0 -40.0 60.0 2
!!
!! A19
!! Jhn-ha = intermediate -- CSI = 'H' -- LOOSER
assign (resid 18 and name c ) (resid 19 and name n )
(resid 19 and name ca) (resid 19 and name c ) 1.0 -60.0 40.0 2
assign (resid 19 and name n ) (resid 19 and name ca)
(resid 19 and name c ) (resid 20 and name n ) 1.0 -40.0 60.0 2
!!
!! I20
!! Jhn-ha = 0.11p (5.6 Hz) -- intermediate -- CSI = 'H' --LOOSER
assign (resid 19 and name c ) (resid 20 and name n )
(resid 20 and name ca) (resid 20 and name c ) 1.0 -60.0 40.0 2
assign (resid 20 and name n ) (resid 20 and name ca)
(resid 20 and name c ) (resid 21 and name n ) 1.0 -40.0 60.0 2
!!
!! F21
! Jhn-ha = small -- CSI = 'H'
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
assign (resid 21 and name n ) (resid 21 and name ca)
(resid 21 and name c ) (resid 22 and name n ) 1.0 -40.0 60.0 2
!!
!! D22
!! Jhn-ha = small
assign (resid 21 and name c ) (resid 22 and name n )
(resid 22 and name ca) (resid 22 and name c ) 1.0 -60.0 30.0 2
assign (resid 22 and name n ) (resid 22 and name ca)
(resid 22 and name c ) (resid 23 and name n ) 1.0 -40.0 60.0 2
!!
!! S23
!! Jhn-ha = 0.09p (4.6 Hz) -- CSI = 'H' -- LOOSER
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 40.0 2
assign (resid 23 and name n ) (resid 23 and name ca)
(resid 23 and name c ) (resid 24 and name n ) 1.0 -40.0 60.0 2
!!
!! L24
!! Jhn-ha = 0.16p (8 Hz) -- intermediate
!!
!! S25
!! Jhn-ha = 0.15p (7.6 Hz) intermediate
!!
!! P26
!!
!! V27
!! Jhn-ha = 0.2p (10 Hz)
assign (resid 26 and name c ) (resid 27 and name n )
(resid 27 and name ca) (resid 27 and name c ) 1.0 -120.0 40.0 2
!! assign (resid 27 and name n ) (resid 27 and name ca)
!! (resid 27 and name c ) (resid 28 and name n ) 1.0 130.0 60.0 2
!!
!! N28
!! No info from HMQC-J
!!
!! G29
!!
!! F30
!! Jhn-ha = 0.21 (10.6 Hz)
!! CSI beta-sheet
assign (resid 29 and name c ) (resid 30 and name n )
(resid 30 and name ca) (resid 30 and name c ) 1.0 -120.0 30.0 2
assign (resid 30 and name n ) (resid 30 and name ca)
(resid 30 and name c ) (resid 31 and name n ) 1.0 130.0 30.0 2
!!
!! L31
!! Jhn-ha = 0.19p (9.6 Hz)
!! CSI beta-sheet
assign (resid 30 and name c ) (resid 31 and name n )
(resid 31 and name ca) (resid 31 and name c ) 1.0 -120.0 50.0 2
assign (resid 31 and name n ) (resid 31 and name ca)
(resid 31 and name c ) (resid 32 and name n ) 1.0 130.0 30.0 2
!!
!! S32
!! Jhn-ha = intermediate
!! assign (resid 31 and name c ) (resid 32 and name n )
!! (resid 32 and name ca) (resid 32 and name c ) 1.0 -120.0 30.0 2
!! assign (resid 32 and name n ) (resid 32 and name ca)
!! (resid 32 and name c ) (resid 33 and name n ) 1.0 130.0 30.0 2
!!
!! G33
!!
!! D34
!! Jhn-ha = intermediate
!!
!! K35
!! Jhn-ha=0.19p (9.6 Hz)
assign (resid 34 and name c ) (resid 35 and name n )
(resid 35 and name ca) (resid 35 and name c ) 1.0 -120.0 40.0 2
!!
!! V36
!! Jhn-ha=0.16p (8.1 Hz) -- intermediate
assign (resid 35 and name c ) (resid 36 and name n )
(resid 36 and name ca) (resid 36 and name c ) 1.0 -120.0 60.0 2
!!
!! K37
!! Jhn-ha = small -- CSI= 'H'
!! - Warning, next to a PRO -residue
assign (resid 36 and name c ) (resid 37 and name n )
(resid 37 and name ca) (resid 37 and name c ) 1.0 -60.0 30.0 2
assign (resid 37 and name n ) (resid 37 and name ca)
(resid 37 and name c ) (resid 38 and name n ) 1.0 -40.0 60.0 2
!!
!! P38
!!
!! V39
!! Jhn-ha = 0.16p (8.1 Hz) -- intermediate
assign (resid 38 and name c ) (resid 39 and name n )
(resid 39 and name ca) (resid 39 and name c ) 1.0 -120.0 60.0 2
!!
!! L40
!! Jhn-ha = intermediate CSI='H' --- LOOSER
assign (resid 39 and name c ) (resid 40 and name n )
(resid 40 and name ca) (resid 40 and name c ) 1.0 -60.0 40.0 2
assign (resid 40 and name n ) (resid 40 and name ca)
(resid 40 and name c ) (resid 41 and name n ) 1.0 -40.0 60.0 2
!!
!! L41
!! Jhn-ha = small + CSI helix
assign (resid 40 and name c ) (resid 41 and name n )
(resid 41 and name ca) (resid 41 and name c ) 1.0 -60.0 30.0 2
assign (resid 41 and name n ) (resid 41 and name ca)
(resid 41 and name c ) (resid 42 and name n ) 1.0 -40.0 60.0 2
!!
!! N42
!! Jhn-ha = small + CSI helix
!! Partial overlap with A15
assign (resid 41 and name c ) (resid 42 and name n )
(resid 42 and name ca) (resid 42 and name c ) 1.0 -60.0 30.0 2
assign (resid 42 and name n ) (resid 42 and name ca)
(resid 42 and name c ) (resid 43 and name n ) 1.0 -40.0 60.0 2
!!
!! S43
!! Jhn-ha = intermediate + CSI-helix -- LOOSER boundaries
assign (resid 42 and name c ) (resid 43 and name n )
(resid 43 and name ca) (resid 43 and name c ) 1.0 -60.0 30.0 2
assign (resid 43 and name n ) (resid 43 and name ca)
(resid 43 and name c ) (resid 44 and name n ) 1.0 -40.0 60.0 2
!!
!! K44
!! Jhn-ha = ? + CSI-helix + Overlap with T102
!!
!! L45 -- coil
!! Jhn-ha = small to intermediate
assign (resid 44 and name c ) (resid 45 and name n )
(resid 45 and name ca) (resid 45 and name c ) 1.0 -60.0 40.0 2
!! assign (resid 45 and name n ) (resid 45 and name ca)
!! (resid 45 and name c ) (resid 46 and name n ) 1.0 -40.0 60.0 2
!!
!! P46
!!
!! V47
!! Jhn-ha = small -- CSI-helix
assign (resid 46 and name c ) (resid 47 and name n )
(resid 47 and name ca) (resid 47 and name c ) 1.0 -60.0 30.0 2
assign (resid 47 and name n ) (resid 47 and name ca)
(resid 47 and name c ) (resid 48 and name n ) 1.0 -40.0 60.0 2
!!
!! D48
!! Jhn-ha = small -- CSI-helix
assign (resid 47 and name c ) (resid 48 and name n )
(resid 48 and name ca) (resid 48 and name c ) 1.0 -60.0 30.0 2
assign (resid 48 and name n ) (resid 48 and name ca)
(resid 48 and name c ) (resid 49 and name n ) 1.0 -40.0 60.0 2
!!
!! I49 -- CSI-helix
!! Jhn-ha = 0.14p (7.0 Hz) -- intermediate
!! 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 60.0 2
! assign (resid 49 and name n ) (resid 49 and name ca)
! (resid 49 and name c ) (resid 50 and name n ) 1.0 -40.0 60.0 2
!!
!! L50 -- CSI-helix
!! Jhn-ha - small
assign (resid 49 and name c ) (resid 50 and name n )
(resid 50 and name ca) (resid 50 and name c ) 1.0 -60.0 30.0 2
assign (resid 50 and name n ) (resid 50 and name ca)
(resid 50 and name c ) (resid 51 and name n ) 1.0 -40.0 60.0 2
!!
!! G51
!!
!! R52
!! Jhn-ha = 0.1p (5.0 Hz) -- CSI-helix -- LOOSER
assign (resid 51 and name c ) (resid 52 and name n )
(resid 52 and name ca) (resid 52 and name c ) 1.0 -60.0 40.0 2
assign (resid 52 and name n ) (resid 52 and name ca)
(resid 52 and name c ) (resid 53 and name n ) 1.0 -40.0 60.0 2
!!
!! V53
!! Jhn-ha = small -- CSI-helix
assign (resid 52 and name c ) (resid 53 and name n )
(resid 53 and name ca) (resid 53 and name c ) 1.0 -60.0 30.0 2
assign (resid 53 and name n ) (resid 53 and name ca)
(resid 53 and name c ) (resid 54 and name n ) 1.0 -40.0 60.0 2
!!
!! W54
!! Jhn-ha = small -- CSI-helix
assign (resid 53 and name c ) (resid 54 and name n )
(resid 54 and name ca) (resid 54 and name c ) 1.0 -60.0 30.0 2
assign (resid 54 and name n ) (resid 54 and name ca)
(resid 54 and name c ) (resid 55 and name n ) 1.0 -40.0 60.0 2
!!
!! E55
!! Jhn-ha = small -- CSI-helix
assign (resid 54 and name c ) (resid 55 and name n )
(resid 55 and name ca) (resid 55 and name c ) 1.0 -60.0 30.0 2
assign (resid 55 and name n ) (resid 55 and name ca)
(resid 55 and name c ) (resid 56 and name n ) 1.0 -40.0 60.0 2
!!
!! L56
!! Jhn-ha = 0.06p (3.0 Hz) -- CSI-helix
assign (resid 55 and name c ) (resid 56 and name n )
(resid 56 and name ca) (resid 56 and name c ) 1.0 -60.0 30.0 2
assign (resid 56 and name n ) (resid 56 and name ca)
(resid 56 and name c ) (resid 57 and name n ) 1.0 -40.0 60.0 2
!!
!! S57
!! Jhn-ha = 5.6 Hz -- intermediate -- CSI-helix -- LOOSER
assign (resid 56 and name c ) (resid 57 and name n )
(resid 57 and name ca) (resid 57 and name c ) 1.0 -70.0 30.0 2
assign (resid 57 and name n ) (resid 57 and name ca)
(resid 57 and name c ) (resid 58 and name n ) 1.0 -40.0 60.0 2
!!
!! D58
!! Jhn-ha = 0.17p (8.6 Hz)
assign (resid 57 and name c ) (resid 58 and name n )
(resid 58 and name ca) (resid 58 and name c ) 1.0 -120.0 60.0 2
!!
!! I59
!! Jhn-ha = small CSI = 'C' -- can we keep this ?
!! assign (resid 58 and name c ) (resid 59 and name n )
!! (resid 59 and name ca) (resid 59 and name c ) 1.0 -60.0 30.0 2
!! assign (resid 59 and name n ) (resid 59 and name ca)
!! (resid 59 and name c ) (resid 60 and name n ) 1.0 -40.0 60.0 2
!!
!! D60
!! Jhn-ha = 0.21p (10.6 Hz)
assign (resid 59 and name c ) (resid 60 and name n )
(resid 60 and name ca) (resid 60 and name c ) 1.0 -120.0 30.0 2
!!
!! H61 (NOTE : psi,phi = 58,36 in classic EF-hands ! +60 ~ 7 Hz
!! Jhn-ha = 0.14p (7.1 Hz) intermediate
!!
!! D62
!! Jhn-ha = 0.18p (9.1 Hz)
assign (resid 61 and name c ) (resid 62 and name n )
(resid 62 and name ca) (resid 62 and name c ) 1.0 -120.0 50.0 2
!!
!! G63
!!
!! M64
!! Jhn-ha = 0.20p (10.1 Hz)
!! CSI - beta-sheet
assign (resid 63 and name c ) (resid 64 and name n )
(resid 64 and name ca) (resid 64 and name c ) 1.0 -120.0 30.0 2
assign (resid 64 and name n ) (resid 64 and name ca)
(resid 64 and name c ) (resid 65 and name n ) 1.0 130.0 30.0 2
!!
!! L65
!! Jhn-ha = 0.22p (11.1 Hz)
!! CSI - beta-sheet
assign (resid 64 and name c ) (resid 65 and name n )
(resid 65 and name ca) (resid 65 and name c ) 1.0 -120.0 30.0 2
assign (resid 65 and name n ) (resid 65 and name ca)
(resid 65 and name c ) (resid 66 and name n ) 1.0 130.0 30.0 2
!!
!! D66
!! Jhn-ha = 'unclear' appears 0.16-0.22p (8-11 Hz)
!! CSI - beta-sheet
assign (resid 65 and name c ) (resid 66 and name n )
(resid 66 and name ca) (resid 66 and name c ) 1.0 -120.0 50.0 2
assign (resid 66 and name n ) (resid 66 and name ca)
(resid 66 and name c ) (resid 67 and name n ) 1.0 130.0 50.0 2
!!
!! R67
!! Jhn-ha = small -- CSI = 'H'
!! Warning, on the edge of a secondary structure element
assign (resid 66 and name c ) (resid 67 and name n )
(resid 67 and name ca) (resid 67 and name c ) 1.0 -60.0 30.0 2
assign (resid 67 and name n ) (resid 67 and name ca)
(resid 67 and name c ) (resid 68 and name n ) 1.0 -40.0 60.0 2
!!
!! D68
!! Jhn-ha = 0.1p (5.1 Hz) -- CSI = 'H' -- LOOSER
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
assign (resid 68 and name n ) (resid 68 and name ca)
(resid 68 and name c ) (resid 69 and name n ) 1.0 -40.0 60.0 2
!!
!! E69
!! Jhn-ha = small -- CSI = 'H'
assign (resid 68 and name c ) (resid 69 and name n )
(resid 69 and name ca) (resid 69 and name c ) 1.0 -60.0 30.0 2
assign (resid 69 and name n ) (resid 69 and name ca)
(resid 69 and name c ) (resid 70 and name n ) 1.0 -40.0 60.0 2
!!
!! F70
!! Jhn-ha = small -- CSI = 'H'
assign (resid 69 and name c ) (resid 70 and name n )
(resid 70 and name ca) (resid 70 and name c ) 1.0 -60.0 30.0 2
assign (resid 70 and name n ) (resid 70 and name ca)
(resid 70 and name c ) (resid 71 and name n ) 1.0 -40.0 60.0 2
!!
!! A71
!! Jhn-ha = small -- CSI = 'H'
assign (resid 70 and name c ) (resid 71 and name n )
(resid 71 and name ca) (resid 71 and name c ) 1.0 -60.0 30.0 2
assign (resid 71 and name n ) (resid 71 and name ca)
(resid 71 and name c ) (resid 72 and name n ) 1.0 -40.0 60.0 2
!!
!! V72
!! Jhn-ha = intermediate -- CSI = 'H'
assign (resid 71 and name c ) (resid 72 and name n )
(resid 72 and name ca) (resid 72 and name c ) 1.0 -60.0 30.0 2
assign (resid 72 and name n ) (resid 72 and name ca)
(resid 72 and name c ) (resid 73 and name n ) 1.0 -40.0 60.0 2
!!
!! A73
!! Jhn-ha = small -- CSI = 'H'
assign (resid 72 and name c ) (resid 73 and name n )
(resid 73 and name ca) (resid 73 and name c ) 1.0 -60.0 30.0 2
assign (resid 73 and name n ) (resid 73 and name ca)
(resid 73 and name c ) (resid 74 and name n ) 1.0 -40.0 60.0 2
!!
!! M74
!! Jhn-ha = small -- CSI = 'H'
assign (resid 73 and name c ) (resid 74 and name n )
(resid 74 and name ca) (resid 74 and name c ) 1.0 -60.0 30.0 2
assign (resid 74 and name n ) (resid 74 and name ca)
(resid 74 and name c ) (resid 75 and name n ) 1.0 -40.0 60.0 2
!!
!! F75
!! Jhn-ha = small -- CSI = 'H'
assign (resid 74 and name c ) (resid 75 and name n )
(resid 75 and name ca) (resid 75 and name c ) 1.0 -60.0 30.0 2
assign (resid 75 and name n ) (resid 75 and name ca)
(resid 75 and name c ) (resid 76 and name n ) 1.0 -40.0 60.0 2
!!
!! L76
!! Jhn-ha = small -- CSI = 'H'
assign (resid 75 and name c ) (resid 76 and name n )
(resid 76 and name ca) (resid 76 and name c ) 1.0 -60.0 30.0 2
assign (resid 76 and name n ) (resid 76 and name ca)
(resid 76 and name c ) (resid 77 and name n ) 1.0 -40.0 60.0 2
!!
!! V77
!! Jhn-ha = small -- CSI = 'H'
assign (resid 76 and name c ) (resid 77 and name n )
(resid 77 and name ca) (resid 77 and name c ) 1.0 -60.0 30.0 2
assign (resid 77 and name n ) (resid 77 and name ca)
(resid 77 and name c ) (resid 78 and name n ) 1.0 -40.0 60.0 2
!!
!! Y78
!! Jhn-ha = small -- CSI = 'H'
assign (resid 77 and name c ) (resid 78 and name n )
(resid 78 and name ca) (resid 78 and name c ) 1.0 -60.0 30.0 2
assign (resid 78 and name n ) (resid 78 and name ca)
(resid 78 and name c ) (resid 79 and name n ) 1.0 -40.0 60.0 2
!!
!! C79
!! Jhn-ha = small -- CSI = 'H'
assign (resid 78 and name c ) (resid 79 and name n )
(resid 79 and name ca) (resid 79 and name c ) 1.0 -60.0 30.0 2
assign (resid 79 and name n ) (resid 79 and name ca)
(resid 79 and name c ) (resid 80 and name n ) 1.0 -40.0 60.0 2
!!
!! A80
!! Jhn-ha = small -- on the edge -- CSI = 'H'
assign (resid 79 and name c ) (resid 80 and name n )
(resid 80 and name ca) (resid 80 and name c ) 1.0 -60.0 30.0 2
assign (resid 80 and name n ) (resid 80 and name ca)
(resid 80 and name c ) (resid 81 and name n ) 1.0 -40.0 60.0 2
!!
!! L81
!! Jhn-ha = small -- on the edge -- CSI = 'H'
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 30.0 2
assign (resid 81 and name n ) (resid 81 and name ca)
(resid 81 and name c ) (resid 82 and name n ) 1.0 -40.0 60.0 2
!!
!! E82
!! Jhn-ha = 0.18p (9.1 Hz)
assign (resid 81 and name c ) (resid 82 and name n )
(resid 82 and name ca) (resid 82 and name c ) 1.0 -120.0 50.0 2
!!
!! K83
!! Jhn-ha = 0.16p (8.1 Hz)
assign (resid 82 and name c ) (resid 83 and name n )
(resid 83 and name ca) (resid 83 and name c ) 1.0 -120.0 60.0 2
!!
!! E84
!! Jhn-ha = large but undetermined due to overlap
assign (resid 83 and name c ) (resid 84 and name n )
(resid 84 and name ca) (resid 84 and name c ) 1.0 -120.0 60.0 2
!!
!! P85
!!
!! V86
!! Jhn-ha = 0.15p (7.6 Hz) -- intermediate
!!
!! P87
!!
!! M88
!! Jhn-ha = 0.12p (6.0 Hz) -- intermediate
!!
!! S89
!! Jhn-ha = 0.16p (8.1 Hz) - close to intermediate
assign (resid 88 and name c ) (resid 89 and name n )
(resid 89 and name ca) (resid 89 and name c ) 1.0 -120.0 60.0 2
!!
!! L90
!! Jhn-ha = small
!!
!! P91
!! P92
!!
!! A93
!! Jhn-ha = small
!!
!! L94
!! Not determined
!!
!! V95
!! Jhn-ha = small
!!
!! P96
!! P97
!!
!! S98
!! Too weak in HMQC-J
!!
!! K99
!! Jhn-ha = 0.23p
assign (resid 98 and name c ) (resid 99 and name n )
(resid 99 and name ca) (resid 99 and name c ) 1.0 -120.0 30.0 2
!!
!! R100
!! Jhn-ha = intermediate
!!
!! K101
!! Too weak in HMQC-J
!!
!! T102
!! not determined
!!
!! W103
!! Jhn-ha = 0.15p
!! disordered, so let's drop this
!!
!! L104
!! Jhn-ha = 0.16/0.17 (8.0 Hz)
!!
!! E105
!! Jhn-ha = large
!!
!! I106
!! Jhn-ha = large
!!
!! eh2_hbon.tbl
! EH2 hydrogen bonds from slow NH exchange
!
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