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
	6599	1j9i	4752	cing	1-original	2	XPLOR/CNS	dihedral angle

!! dihedral angle restraints for xplor input
!!
!! CSI and J-coupling are used together
!!
!! phi - sheet
!! assign (segid "A" and resid i-1 and name c)(segid "A" and resid i and name n)
!! (segid "A" and resid i and name ca)(segid "A" and resid i and name c) 1 -120.0 30.0 2
!!
!! psi - sheet
!! assign (segid "A" and resid i and name n)(segid "A" and resid i and name ca)
!! (segid "A" and resid i and name c)(segid "A" and resid i+1 and name n) 1 130.0 60.0 2
!!
!! phi - helix
!! assign (segid "A" and resid i-1 and name c)(segid "A" and resid i and name n)
!! (segid "A" and resid i and name ca)(segid "A" and resid i and name c) 1 -60.0 30.0 2
!!
!! psi - helix
!! assign (segid "A" and resid i and name n)(segid "A" and resid i and name ca)
!! (segid "A" and resid i and name c)(segid "A" and resid i+1 and name n) 1 -40.0 60.0 2
!!
!! phi - coil and J < 6 Hz
!! assign (segid "A" and resid i-1 and name c)(segid "A" and resid i and name n)
!! (segid "A" and resid i and name ca)(segid "A" and resid i and name c) 1 60 120.0 2
!!
!!
!!
!! M1
!! E2 6.21 -
!! V3 9.36 -
assign (segid "A" and resid 2 and name c)(segid "A" and resid 3 and name n)
 (segid "A" and resid 3 and name ca)(segid "A" and resid 3 and name c) 1 -120.0 30.0 2
assign (segid "A" and resid 3 and name n)(segid "A" and resid 3 and name ca)
 (segid "A" and resid 3 and name c)(segid "A" and resid 4 and name n) 1 130.0 60.0 2
!!
!! N4 7.28 + -
!! overlap would reduce angle, seems reasonable to add at least phi
!! psi left out to not restrain transition to K5
!!
assign (segid "A" and resid 3 and name c)(segid "A" and resid 4 and name n)
 (segid "A" and resid 4 and name ca)(segid "A" and resid 4 and name c) 1 -120.0 30.0 2
!!
!! K5 0 a
!! alpha not detected. consistent with 'a'
assign (segid "A" and resid 4 and name c)(segid "A" and resid 5 and name n)
 (segid "A" and resid 5 and name ca)(segid "A" and resid 5 and name c) 1 -60.0 30.0 2
assign (segid "A" and resid 5 and name n)(segid "A" and resid 5 and name ca)
 (segid "A" and resid 5 and name c)(segid "A" and resid 6 and name n) 1 -40.0 60.0 2
!!
!! K6 5.01 a
assign (segid "A" and resid 5 and name c)(segid "A" and resid 6 and name n)
 (segid "A" and resid 6 and name ca)(segid "A" and resid 6 and name c) 1 -60.0 30.0 2
assign (segid "A" and resid 6 and name n)(segid "A" and resid 6 and name ca)
 (segid "A" and resid 6 and name c)(segid "A" and resid 7 and name n) 1 -40.0 60.0 2
!!
!! Q7 4.39 + a
assign (segid "A" and resid 6 and name c)(segid "A" and resid 7 and name n)
 (segid "A" and resid 7 and name ca)(segid "A" and resid 7 and name c) 1 -60.0 30.0 2
assign (segid "A" and resid 7 and name n)(segid "A" and resid 7 and name ca)
 (segid "A" and resid 7 and name c)(segid "A" and resid 8 and name n) 1 -40.0 60.0 2
!!
!! L8 2.9 a
assign (segid "A" and resid 7 and name c)(segid "A" and resid 8 and name n)
 (segid "A" and resid 8 and name ca)(segid "A" and resid 8 and name c) 1 -60.0 30.0 2
assign (segid "A" and resid 8 and name n)(segid "A" and resid 8 and name ca)
 (segid "A" and resid 8 and name c)(segid "A" and resid 9 and name n) 1 -40.0 60.0 2
!!
!! A9 + a
!! no data for J yet, include later based on NOEs
!!
!! D10 4.87 a
assign (segid "A" and resid 9 and name c)(segid "A" and resid 10 and name n)
 (segid "A" and resid 10 and name ca)(segid "A" and resid 10 and name c) 1 -60.0 30.0 2
assign (segid "A" and resid 10 and name n)(segid "A" and resid 10 and name ca)
 (segid "A" and resid 10 and name c)(segid "A" and resid 11 and name n) 1 -40.0 60.0 2
!!
!! I11 + a
!! alpha not detected consisitent with 'a'
assign (segid "A" and resid 10 and name c)(segid "A" and resid 11 and name n)
 (segid "A" and resid 11 and name ca)(segid "A" and resid 11 and name c) 1 -60.0 30.0 2
assign (segid "A" and resid 11 and name n)(segid "A" and resid 11 and name ca)
 (segid "A" and resid 11 and name c)(segid "A" and resid 12 and name n) 1 -40.0 60.0 2
!!
!! F12 6.21 a
!! G13 + -
!! A14 + -
!! S15 6.69 -
!!
!! I16 3.63 -
assign (segid "A" and resid 15 and name c)(segid "A" and resid 16 and name n)
 (segid "A" and resid 16 and name ca)(segid "A" and resid 16 and name c) 1 -60.0 30.0 2
assign (segid "A" and resid 16 and name n)(segid "A" and resid 16 and name ca)
 (segid "A" and resid 16 and name c)(segid "A" and resid 17 and name n) 1 -40.0 60.0 2
!!
!! R17 + -
!!
!! T18 3.63 + -
assign (segid "A" and resid 17 and name c)(segid "A" and resid 18 and name n)
 (segid "A" and resid 18 and name ca)(segid "A" and resid 18 and name c) 1 -60.0 30.0 2
assign (segid "A" and resid 18 and name n)(segid "A" and resid 18 and name ca)
 (segid "A" and resid 18 and name c)(segid "A" and resid 19 and name n) 1 -40.0 60.0 2
!!
!! A19 + a
!!
!! Q20 3.4 + a
assign (segid "A" and resid 19 and name c)(segid "A" and resid 20 and name n)
 (segid "A" and resid 20 and name ca)(segid "A" and resid 20 and name c) 1 -60.0 30.0 2
assign (segid "A" and resid 20 and name n)(segid "A" and resid 20 and name ca)
 (segid "A" and resid 20 and name c)(segid "A" and resid 21 and name n) 1 -40.0 60.0 2
!!
!! N21 + a
!!
!! W22 3.63 a
assign (segid "A" and resid 21 and name c)(segid "A" and resid 22 and name n)
 (segid "A" and resid 22 and name ca)(segid "A" and resid 22 and name c) 1 -60.0 30.0 2
assign (segid "A" and resid 22 and name n)(segid "A" and resid 22 and name ca)
 (segid "A" and resid 22 and name c)(segid "A" and resid 23 and name n) 1 -40.0 60.0 2
!!
!! Q23 2.6 a
assign (segid "A" and resid 22 and name c)(segid "A" and resid 23 and name n)
 (segid "A" and resid 23 and name ca)(segid "A" and resid 23 and name c) 1 -60.0 30.0 2
assign (segid "A" and resid 23 and name n)(segid "A" and resid 23 and name ca)
 (segid "A" and resid 23 and name c)(segid "A" and resid 24 and name n) 1 -40.0 60.0 2
!!
!! E24 + a
!!
!! Q25 8.35 -
!! > 8
assign (segid "A" and resid 24 and name c)(segid "A" and resid 25 and name n)
 (segid "A" and resid 25 and name ca)(segid "A" and resid 25 and name c) 1 -120.0 30.0 2
!!
!! G26 7.98 4.22 -
!! M27 -
!! no alpha - broadening or sharp angle (?)
!! P28 -
!! V29 6.51 + -
!! L30 7.92 -
!! R31 + -
!! G32 7.43 -
!! G33 7.65 -
!! G34 7.92 -
!! K35 6.87 -
!! G36 -
!! N37 -
!! E38 + -
!! V39 6.51 -
!! L40 b
assign (segid "A" and resid 39 and name c)(segid "A" and resid 40 and name n)
 (segid "A" and resid 40 and name ca)(segid "A" and resid 40 and name c) 1 -120.0 30.0 2
assign (segid "A" and resid 40 and name n)(segid "A" and resid 40 and name ca)
 (segid "A" and resid 40 and name c)(segid "A" and resid 41 and name n) 1 130.0 60.0 2
!! Y41 9.66 b
assign (segid "A" and resid 40 and name c)(segid "A" and resid 41 and name n)
 (segid "A" and resid 41 and name ca)(segid "A" and resid 41 and name c) 1 -120.0 30.0 2
assign (segid "A" and resid 41 and name n)(segid "A" and resid 41 and name ca)
 (segid "A" and resid 41 and name c)(segid "A" and resid 42 and name n) 1 130.0 60.0 2
!!
!! D42 7.43 b
!!
!! S43 3.16 a
!! assign (segid "A" and resid 42 and name c)(segid "A" and resid 43 and name n)
!! (segid "A" and resid 43 and name ca)(segid "A" and resid 43 and name c) 1 -60.0 30.0 2
!! assign (segid "A" and resid 43 and name n)(segid "A" and resid 43 and name ca)
!! (segid "A" and resid 43 and name c)(segid "A" and resid 44 and name n) 1 -40.0 60.0 2
!!
!! A44 5.41 a
assign (segid "A" and resid 43 and name c)(segid "A" and resid 44 and name n)
 (segid "A" and resid 44 and name ca)(segid "A" and resid 44 and name c) 1 -60.0 30.0 2
assign (segid "A" and resid 44 and name n)(segid "A" and resid 44 and name ca)
 (segid "A" and resid 44 and name c)(segid "A" and resid 45 and name n) 1 -40.0 60.0 2
!!
!! A45 5.54 a
assign (segid "A" and resid 44 and name c)(segid "A" and resid 45 and name n)
 (segid "A" and resid 45 and name ca)(segid "A" and resid 45 and name c) 1 -60.0 30.0 2
assign (segid "A" and resid 45 and name n)(segid "A" and resid 45 and name ca)
 (segid "A" and resid 45 and name c)(segid "A" and resid 46 and name n) 1 -40.0 60.0 2
!!
!! V46 4.39 a
assign (segid "A" and resid 45 and name c)(segid "A" and resid 46 and name n)
 (segid "A" and resid 46 and name ca)(segid "A" and resid 46 and name c) 1 -60.0 30.0 2
assign (segid "A" and resid 46 and name n)(segid "A" and resid 46 and name ca)
 (segid "A" and resid 46 and name c)(segid "A" and resid 47 and name n) 1 -40.0 60.0 2
!!
!! I47 a
!! assign (segid "A" and resid 46 and name c)(segid "A" and resid 47 and name n)
!! (segid "A" and resid 47 and name ca)(segid "A" and resid 47 and name c) 1 -60.0 30.0 2
!! assign (segid "A" and resid 47 and name n)(segid "A" and resid 47 and name ca)
!! (segid "A" and resid 47 and name c)(segid "A" and resid 48 and name n) 1 -40.0 60.0 2
!!
!! K48 4.39 + a
assign (segid "A" and resid 47 and name c)(segid "A" and resid 48 and name n)
 (segid "A" and resid 48 and name ca)(segid "A" and resid 48 and name c) 1 -60.0 30.0 2
assign (segid "A" and resid 48 and name n)(segid "A" and resid 48 and name ca)
 (segid "A" and resid 48 and name c)(segid "A" and resid 49 and name n) 1 -40.0 60.0 2
!!
!! W49 a
assign (segid "A" and resid 48 and name c)(segid "A" and resid 49 and name n)
 (segid "A" and resid 49 and name ca)(segid "A" and resid 49 and name c) 1 -60.0 30.0 2
assign (segid "A" and resid 49 and name n)(segid "A" and resid 49 and name ca)
 (segid "A" and resid 49 and name c)(segid "A" and resid 50 and name n) 1 -40.0 60.0 2
!!
!! Y50 3.84 a
assign (segid "A" and resid 49 and name c)(segid "A" and resid 50 and name n)
 (segid "A" and resid 50 and name ca)(segid "A" and resid 50 and name c) 1 -60.0 30.0 2
assign (segid "A" and resid 50 and name n)(segid "A" and resid 50 and name ca)
 (segid "A" and resid 50 and name c)(segid "A" and resid 51 and name n) 1 -40.0 60.0 2
!!
!! A51 4.56 a
assign (segid "A" and resid 50 and name c)(segid "A" and resid 51 and name n)
 (segid "A" and resid 51 and name ca)(segid "A" and resid 51 and name c) 1 -60.0 30.0 2
assign (segid "A" and resid 51 and name n)(segid "A" and resid 51 and name ca)
 (segid "A" and resid 51 and name c)(segid "A" and resid 52 and name n) 1 -40.0 60.0 2
!!
!! E52 7.2 a
!! J too high leave out
!!
!! R53 6 -
!! D54 -
!! A55 5.41 -
!! E56 6.51 -
!! I57 -
!! E58 6 -
!! N59 6.6 -
!! E60 -
!! K61 -
!! L62 6.78 -
!! R63 -
!! R64 -
!! E65 -
!! V66 7.92 -
!! E67 7.72 -
!! E68 7.72 -
!! dihedral angle restraints for xplor input
!!
!! CSI and J-coupling are used together
!!
!! phi - sheet
!! assign (segid "B" and resid i-1 and name c)(segid "B" and resid i and name n)
!! (segid "B" and resid i and name ca)(segid "B" and resid i and name c) 1 -120.0 30.0 2
!!
!! psi - sheet
!! assign (segid "B" and resid i and name n)(segid "B" and resid i and name ca)
!! (segid "B" and resid i and name c)(segid "B" and resid i+1 and name n) 1 130.0 60.0 2
!!
!! phi - helix
!! assign (segid "B" and resid i-1 and name c)(segid "B" and resid i and name n)
!! (segid "B" and resid i and name ca)(segid "B" and resid i and name c) 1 -60.0 30.0 2
!!
!! psi - helix
!! assign (segid "B" and resid i and name n)(segid "B" and resid i and name ca)
!! (segid "B" and resid i and name c)(segid "B" and resid i+1 and name n) 1 -40.0 60.0 2
!!
!! phi - coil and J < 6 Hz
!! assign (segid "B" and resid i-1 and name c)(segid "B" and resid i and name n)
!! (segid "B" and resid i and name ca)(segid "B" and resid i and name c) 1 60 120.0 2
!!
!!
!!
!! M1
!! E2 6.21 -
!! V3 9.36 -
assign (segid "B" and resid 2 and name c)(segid "B" and resid 3 and name n)
 (segid "B" and resid 3 and name ca)(segid "B" and resid 3 and name c) 1 -120.0 30.0 2
assign (segid "B" and resid 3 and name n)(segid "B" and resid 3 and name ca)
 (segid "B" and resid 3 and name c)(segid "B" and resid 4 and name n) 1 130.0 60.0 2
!!
!! N4 7.28 + -
!! overlap would reduce angle, seems reasonable to add at least phi
!! psi left out to not restrain transition to K5
!!
assign (segid "B" and resid 3 and name c)(segid "B" and resid 4 and name n)
 (segid "B" and resid 4 and name ca)(segid "B" and resid 4 and name c) 1 -120.0 30.0 2
!!
!! K5 0 a
!! alpha not detected. consistent with 'a'
assign (segid "B" and resid 4 and name c)(segid "B" and resid 5 and name n)
 (segid "B" and resid 5 and name ca)(segid "B" and resid 5 and name c) 1 -60.0 30.0 2
assign (segid "B" and resid 5 and name n)(segid "B" and resid 5 and name ca)
 (segid "B" and resid 5 and name c)(segid "B" and resid 6 and name n) 1 -40.0 60.0 2
!!
!! K6 5.01 a
assign (segid "B" and resid 5 and name c)(segid "B" and resid 6 and name n)
 (segid "B" and resid 6 and name ca)(segid "B" and resid 6 and name c) 1 -60.0 30.0 2
assign (segid "B" and resid 6 and name n)(segid "B" and resid 6 and name ca)
 (segid "B" and resid 6 and name c)(segid "B" and resid 7 and name n) 1 -40.0 60.0 2
!!
!! Q7 4.39 + a
assign (segid "B" and resid 6 and name c)(segid "B" and resid 7 and name n)
 (segid "B" and resid 7 and name ca)(segid "B" and resid 7 and name c) 1 -60.0 30.0 2
assign (segid "B" and resid 7 and name n)(segid "B" and resid 7 and name ca)
 (segid "B" and resid 7 and name c)(segid "B" and resid 8 and name n) 1 -40.0 60.0 2
!!
!! L8 2.9 a
assign (segid "B" and resid 7 and name c)(segid "B" and resid 8 and name n)
 (segid "B" and resid 8 and name ca)(segid "B" and resid 8 and name c) 1 -60.0 30.0 2
assign (segid "B" and resid 8 and name n)(segid "B" and resid 8 and name ca)
 (segid "B" and resid 8 and name c)(segid "B" and resid 9 and name n) 1 -40.0 60.0 2
!!
!! A9 + a
!! no data for J yet, include later based on NOEs
!!
!! D10 4.87 a
assign (segid "B" and resid 9 and name c)(segid "B" and resid 10 and name n)
 (segid "B" and resid 10 and name ca)(segid "B" and resid 10 and name c) 1 -60.0 30.0 2
assign (segid "B" and resid 10 and name n)(segid "B" and resid 10 and name ca)
 (segid "B" and resid 10 and name c)(segid "B" and resid 11 and name n) 1 -40.0 60.0 2
!!
!! I11 + a
!! alpha not detected consisitent with 'a'
assign (segid "B" and resid 10 and name c)(segid "B" and resid 11 and name n)
 (segid "B" and resid 11 and name ca)(segid "B" and resid 11 and name c) 1 -60.0 30.0 2
assign (segid "B" and resid 11 and name n)(segid "B" and resid 11 and name ca)
 (segid "B" and resid 11 and name c)(segid "B" and resid 12 and name n) 1 -40.0 60.0 2
!!
!! F12 6.21 a
!! G13 + -
!! A14 + -
!! S15 6.69 -
!!
!! I16 3.63 -
assign (segid "B" and resid 15 and name c)(segid "B" and resid 16 and name n)
 (segid "B" and resid 16 and name ca)(segid "B" and resid 16 and name c) 1 -60.0 30.0 2
assign (segid "B" and resid 16 and name n)(segid "B" and resid 16 and name ca)
 (segid "B" and resid 16 and name c)(segid "B" and resid 17 and name n) 1 -40.0 60.0 2
!!
!! R17 + -
!!
!! T18 3.63 + -
assign (segid "B" and resid 17 and name c)(segid "B" and resid 18 and name n)
 (segid "B" and resid 18 and name ca)(segid "B" and resid 18 and name c) 1 -60.0 30.0 2
assign (segid "B" and resid 18 and name n)(segid "B" and resid 18 and name ca)
 (segid "B" and resid 18 and name c)(segid "B" and resid 19 and name n) 1 -40.0 60.0 2
!!
!! A19 + a
!!
!! Q20 3.4 + a
assign (segid "B" and resid 19 and name c)(segid "B" and resid 20 and name n)
 (segid "B" and resid 20 and name ca)(segid "B" and resid 20 and name c) 1 -60.0 30.0 2
assign (segid "B" and resid 20 and name n)(segid "B" and resid 20 and name ca)
 (segid "B" and resid 20 and name c)(segid "B" and resid 21 and name n) 1 -40.0 60.0 2
!!
!! N21 + a
!!
!! W22 3.63 a
assign (segid "B" and resid 21 and name c)(segid "B" and resid 22 and name n)
 (segid "B" and resid 22 and name ca)(segid "B" and resid 22 and name c) 1 -60.0 30.0 2
assign (segid "B" and resid 22 and name n)(segid "B" and resid 22 and name ca)
 (segid "B" and resid 22 and name c)(segid "B" and resid 23 and name n) 1 -40.0 60.0 2
!!
!! Q23 2.6 a
assign (segid "B" and resid 22 and name c)(segid "B" and resid 23 and name n)
 (segid "B" and resid 23 and name ca)(segid "B" and resid 23 and name c) 1 -60.0 30.0 2
assign (segid "B" and resid 23 and name n)(segid "B" and resid 23 and name ca)
 (segid "B" and resid 23 and name c)(segid "B" and resid 24 and name n) 1 -40.0 60.0 2
!!
!! E24 + a
!!
!! Q25 8.35 -
!! > 8
assign (segid "B" and resid 24 and name c)(segid "B" and resid 25 and name n)
 (segid "B" and resid 25 and name ca)(segid "B" and resid 25 and name c) 1 -120.0 30.0 2
!!
!! G26 7.98 4.22 -
!! M27 -
!! no alpha - broadening or sharp angle (?)
!! P28 -
!! V29 6.51 + -
!! L30 7.92 -
!! R31 + -
!! G32 7.43 -
!! G33 7.65 -
!! G34 7.92 -
!! K35 6.87 -
!! G36 -
!! N37 -
!! E38 + -
!! V39 6.51 -
!! L40 b
assign (segid "B" and resid 39 and name c)(segid "B" and resid 40 and name n)
 (segid "B" and resid 40 and name ca)(segid "B" and resid 40 and name c) 1 -120.0 30.0 2
assign (segid "B" and resid 40 and name n)(segid "B" and resid 40 and name ca)
 (segid "B" and resid 40 and name c)(segid "B" and resid 41 and name n) 1 130.0 60.0 2
!! Y41 9.66 b
assign (segid "B" and resid 40 and name c)(segid "B" and resid 41 and name n)
 (segid "B" and resid 41 and name ca)(segid "B" and resid 41 and name c) 1 -120.0 30.0 2
assign (segid "B" and resid 41 and name n)(segid "B" and resid 41 and name ca)
 (segid "B" and resid 41 and name c)(segid "B" and resid 42 and name n) 1 130.0 60.0 2
!!
!! D42 7.43 b
!!
!! S43 3.16 a
!! assign (segid "B" and resid 42 and name c)(segid "B" and resid 43 and name n)
!! (segid "B" and resid 43 and name ca)(segid "B" and resid 43 and name c) 1 -60.0 30.0 2
!! assign (segid "B" and resid 43 and name n)(segid "B" and resid 43 and name ca)
!! (segid "B" and resid 43 and name c)(segid "B" and resid 44 and name n) 1 -40.0 60.0 2
!!
!! A44 5.41 a
assign (segid "B" and resid 43 and name c)(segid "B" and resid 44 and name n)
 (segid "B" and resid 44 and name ca)(segid "B" and resid 44 and name c) 1 -60.0 30.0 2
assign (segid "B" and resid 44 and name n)(segid "B" and resid 44 and name ca)
 (segid "B" and resid 44 and name c)(segid "B" and resid 45 and name n) 1 -40.0 60.0 2
!!
!! A45 5.54 a
assign (segid "B" and resid 44 and name c)(segid "B" and resid 45 and name n)
 (segid "B" and resid 45 and name ca)(segid "B" and resid 45 and name c) 1 -60.0 30.0 2
assign (segid "B" and resid 45 and name n)(segid "B" and resid 45 and name ca)
 (segid "B" and resid 45 and name c)(segid "B" and resid 46 and name n) 1 -40.0 60.0 2
!!
!! V46 4.39 a
assign (segid "B" and resid 45 and name c)(segid "B" and resid 46 and name n)
 (segid "B" and resid 46 and name ca)(segid "B" and resid 46 and name c) 1 -60.0 30.0 2
assign (segid "B" and resid 46 and name n)(segid "B" and resid 46 and name ca)
 (segid "B" and resid 46 and name c)(segid "B" and resid 47 and name n) 1 -40.0 60.0 2
!!
!! I47 a
!! assign (segid "B" and resid 46 and name c)(segid "B" and resid 47 and name n)
!! (segid "B" and resid 47 and name ca)(segid "B" and resid 47 and name c) 1 -60.0 30.0 2
!! assign (segid "B" and resid 47 and name n)(segid "B" and resid 47 and name ca)
!! (segid "B" and resid 47 and name c)(segid "B" and resid 48 and name n) 1 -40.0 60.0 2
!!
!! K48 4.39 + a
assign (segid "B" and resid 47 and name c)(segid "B" and resid 48 and name n)
 (segid "B" and resid 48 and name ca)(segid "B" and resid 48 and name c) 1 -60.0 30.0 2
assign (segid "B" and resid 48 and name n)(segid "B" and resid 48 and name ca)
 (segid "B" and resid 48 and name c)(segid "B" and resid 49 and name n) 1 -40.0 60.0 2
!!
!! W49 a
assign (segid "B" and resid 48 and name c)(segid "B" and resid 49 and name n)
 (segid "B" and resid 49 and name ca)(segid "B" and resid 49 and name c) 1 -60.0 30.0 2
assign (segid "B" and resid 49 and name n)(segid "B" and resid 49 and name ca)
 (segid "B" and resid 49 and name c)(segid "B" and resid 50 and name n) 1 -40.0 60.0 2
!!
!! Y50 3.84 a
assign (segid "B" and resid 49 and name c)(segid "B" and resid 50 and name n)
 (segid "B" and resid 50 and name ca)(segid "B" and resid 50 and name c) 1 -60.0 30.0 2
assign (segid "B" and resid 50 and name n)(segid "B" and resid 50 and name ca)
 (segid "B" and resid 50 and name c)(segid "B" and resid 51 and name n) 1 -40.0 60.0 2
!!
!! A51 4.56 a
assign (segid "B" and resid 50 and name c)(segid "B" and resid 51 and name n)
 (segid "B" and resid 51 and name ca)(segid "B" and resid 51 and name c) 1 -60.0 30.0 2
assign (segid "B" and resid 51 and name n)(segid "B" and resid 51 and name ca)
 (segid "B" and resid 51 and name c)(segid "B" and resid 52 and name n) 1 -40.0 60.0 2
!!
!! E52 7.2 a
!! J too high leave out
!!
!! R53 6 -
!! D54 -
!! A55 5.41 -
!! E56 6.51 -
!! I57 -
!! E58 6 -
!! N59 6.6 -
!! E60 -
!! K61 -
!! L62 6.78 -
!! R63 -
!! R64 -
!! E65 -
!! V66 7.92 -
!! E67 7.72 -
!! E68 7.72 -

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