NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | position | program | type |
|
|
3925 |
1ef5   |
cing | recoord | dress | 1-original | 3 | XPLOR/CNS | dihedral angle |
!! phi angle constreints from CSI values
assign (resid 648 and name c)
(resid 649 and name n)
(resid 649 and name ca)
(resid 649 and name c) 1.0 -120.0 40.0 2 ! -1.00
assign (resid 649 and name c)
(resid 650 and name n)
(resid 650 and name ca)
(resid 650 and name c) 1.0 -120.0 40.0 2 ! -1.00
assign (resid 650 and name c)
(resid 651 and name n)
(resid 651 and name ca)
(resid 651 and name c) 1.0 -120.0 40.0 2 ! -1.00
assign (resid 651 and name c)
(resid 652 and name n)
(resid 652 and name ca)
(resid 652 and name c) 1.0 -120.0 40.0 2 ! -1.00
assign (resid 652 and name c)
(resid 653 and name n)
(resid 653 and name ca)
(resid 653 and name c) 1.0 -120.0 40.0 2 ! -1.00
assign (resid 653 and name c)
(resid 654 and name n)
(resid 654 and name ca)
(resid 654 and name c) 1.0 -120.0 40.0 2 ! -1.00
assign (resid 654 and name c)
(resid 655 and name n)
(resid 655 and name ca)
(resid 655 and name c) 1.0 -120.0 40.0 2 ! -1.00
assign (resid 655 and name c)
(resid 656 and name n)
(resid 656 and name ca)
(resid 656 and name c) 1.0 -120.0 40.0 2 ! -1.00
!assign (resid 662 and name c)
! (resid 663 and name n)
! (resid 663 and name ca)
! (resid 663 and name c) 1.0 -120.0 40.0 2 ! -1.00
!assign (resid 663 and name c)
! (resid 664 and name n)
! (resid 664 and name ca)
! (resid 664 and name c) 1.0 -120.0 40.0 2 ! -1.00
assign (resid 664 and name c)
(resid 665 and name n)
(resid 665 and name ca)
(resid 665 and name c) 1.0 -120.0 40.0 2 ! -1.00
assign (resid 666 and name c)
(resid 667 and name n)
(resid 667 and name ca)
(resid 667 and name c) 1.0 -120.0 40.0 2 ! -1.00
assign (resid 667 and name c)
(resid 668 and name n)
(resid 668 and name ca)
(resid 668 and name c) 1.0 -120.0 40.0 2 ! -1.00
!assign (resid 668 and name c)
! (resid 669 and name n)
! (resid 669 and name ca)
! (resid 669 and name c) 1.0 -120.0 40.0 2 ! -1.00
!assign (resid 669 and name c)
! (resid 670 and name n)
! (resid 670 and name ca)
! (resid 670 and name c) 1.0 -120.0 40.0 2 ! -1.00
assign (resid 674 and name c)
(resid 675 and name n)
(resid 675 and name ca)
(resid 675 and name c) 1.0 -65.0 30.0 2 ! 1.00
assign (resid 676 and name c)
(resid 677 and name n)
(resid 677 and name ca)
(resid 677 and name c) 1.0 -65.0 25.0 2 ! 1.00
assign (resid 677 and name c)
(resid 678 and name n)
(resid 678 and name ca)
(resid 678 and name c) 1.0 -65.0 25.0 2 ! 1.00
assign (resid 678 and name c)
(resid 679 and name n)
(resid 679 and name ca)
(resid 679 and name c) 1.0 -65.0 25.0 2 ! 1.00
assign (resid 679 and name c)
(resid 680 and name n)
(resid 680 and name ca)
(resid 680 and name c) 1.0 -65.0 25.0 2 ! 1.00
assign (resid 680 and name c)
(resid 681 and name n)
(resid 681 and name ca)
(resid 681 and name c) 1.0 -65.0 25.0 2 ! 1.00
assign (resid 681 and name c)
(resid 682 and name n)
(resid 682 and name ca)
(resid 682 and name c) 1.0 -65.0 25.0 2 ! 1.00
assign (resid 682 and name c)
(resid 683 and name n)
(resid 683 and name ca)
(resid 683 and name c) 1.0 -65.0 25.0 2 ! 1.00
assign (resid 683 and name c)
(resid 684 and name n)
(resid 684 and name ca)
(resid 684 and name c) 1.0 -65.0 30.0 2 ! 1.00
assign (resid 696 and name c)
(resid 697 and name n)
(resid 697 and name ca)
(resid 697 and name c) 1.0 -120.0 40.0 2 ! -1.00
assign (resid 697 and name c)
(resid 698 and name n)
(resid 698 and name ca)
(resid 698 and name c) 1.0 -120.0 40.0 2 ! -1.00
assign (resid 698 and name c)
(resid 699 and name n)
(resid 699 and name ca)
(resid 699 and name c) 1.0 -120.0 40.0 2 ! -1.00
assign (resid 699 and name c)
(resid 700 and name n)
(resid 700 and name ca)
(resid 700 and name c) 1.0 -120.0 40.0 2 ! -1.00
!assign (resid 706 and name c) !
! (resid 707 and name n) !
! (resid 707 and name ca) !
! (resid 707 and name c) 1.0 -120.0 40.0 2 ! -1.00 !
assign (resid 707 and name c)
(resid 708 and name n)
(resid 708 and name ca)
(resid 708 and name c) 1.0 -120.0 40.0 2 ! -1.00
assign (resid 725 and name c)
(resid 726 and name n)
(resid 726 and name ca)
(resid 726 and name c) 1.0 -120.0 40.0 2 ! -1.00
assign (resid 726 and name c)
(resid 727 and name n)
(resid 727 and name ca)
(resid 727 and name c) 1.0 -120.0 40.0 2 ! -1.00
assign (resid 727 and name c)
(resid 728 and name n)
(resid 728 and name ca)
(resid 728 and name c) 1.0 -120.0 40.0 2 ! -1.00
assign (resid 728 and name c)
(resid 729 and name n)
(resid 729 and name ca)
(resid 729 and name c) 1.0 -120.0 40.0 2 ! -1.00
assign (resid 729 and name c)
(resid 730 and name n)
(resid 730 and name ca)
(resid 730 and name c) 1.0 -120.0 40.0 2 ! -1.00
assign (resid 730 and name c)
(resid 731 and name n)
(resid 731 and name ca)
(resid 731 and name c) 1.0 -120.0 40.0 2 ! -1.00
! dihedral restraints end
!! chi1 angle restraints
assign (resid 650 and name n)
(resid 650 and name ca)
(resid 650 and name cb)
(resid 650 and name sg ) 1.0 -60.0 60.0 2 ! Cys -60
assign (resid 651 and name n)
(resid 651 and name ca)
(resid 651 and name cb)
(resid 651 and name cg1) 1.0 180.0 60.0 2 ! Ile 180
assign (resid 653 and name n)
(resid 653 and name ca)
(resid 653 and name cb)
(resid 653 and name cg ) 1.0 180.0 60.0 2 ! Arg 180
assign (resid 656 and name n)
(resid 656 and name ca)
(resid 656 and name cb)
(resid 656 and name cg1) 1.0 -60.0 60.0 2 ! Val g-
assign (resid 663 and name n)
(resid 663 and name ca)
(resid 663 and name cb)
(resid 663 and name cg ) 1.0 60.0 60.0 2 ! Met 60
assign (resid 665 and name n)
(resid 665 and name ca)
(resid 665 and name cb)
(resid 665 and name cg ) 1.0 -60.0 60.0 2 ! Lys -60
assign (resid 678 and name n)
(resid 678 and name ca)
(resid 678 and name cb)
(resid 678 and name cg1) 1.0 180.0 60.0 2 ! Val g+
assign (resid 687 and name n)
(resid 687 and name ca)
(resid 687 and name cb)
(resid 687 and name cg ) 1.0 60.0 60.0 2 ! Asn 60
assign (resid 688 and name n)
(resid 688 and name ca)
(resid 688 and name cb)
(resid 688 and name cg ) 1.0 60.0 60.0 2 ! Leu 60
assign (resid 689 and name n)
(resid 689 and name ca)
(resid 689 and name cb)
(resid 689 and name cg ) 1.0 -60.0 60.0 2 ! Glu -60
assign (resid 691 and name n)
(resid 691 and name ca)
(resid 691 and name cb)
(resid 691 and name cg ) 1.0 60.0 60.0 2 ! Asp 60
assign (resid 700 and name n)
(resid 700 and name ca)
(resid 700 and name cb)
(resid 700 and name cg ) 1.0 -60.0 60.0 2 ! Gln -60
assign (resid 707 and name n)
(resid 707 and name ca)
(resid 707 and name cb)
(resid 707 and name cg ) 1.0 60.0 60.0 2 ! Glu 60
assign (resid 709 and name n)
(resid 709 and name ca)
(resid 709 and name cb)
(resid 709 and name cg1) 1.0 180.0 60.0 2 ! Val g+
assign (resid 716 and name n)
(resid 716 and name ca)
(resid 716 and name cb)
(resid 716 and name cg1) 1.0 -60.0 60.0 2 ! Val g-
assign (resid 722 and name n)
(resid 722 and name ca)
(resid 722 and name cb)
(resid 722 and name og ) 1.0 60.0 60.0 2 ! Ser 60
assign (resid 723 and name n)
(resid 723 and name ca)
(resid 723 and name cb)
(resid 723 and name cg ) 1.0 60.0 60.0 2 ! Gln 60
assign (resid 725 and name n)
(resid 725 and name ca)
(resid 725 and name cb)
(resid 725 and name cg ) 1.0 60.0 60.0 2 ! Asn 60
assign (resid 726 and name n)
(resid 726 and name ca)
(resid 726 and name cb)
(resid 726 and name cg ) 1.0 -60.0 60.0 2 ! Phe -60
assign (resid 727 and name n)
(resid 727 and name ca)
(resid 727 and name cb)
(resid 727 and name cg ) 1.0 60.0 60.0 2 ! Asp 60
assign (resid 728 and name n)
(resid 728 and name ca)
(resid 728 and name cb)
(resid 728 and name cg ) 1.0 -60.0 60.0 2 ! Phe -60
assign (resid 732 and name n)
(resid 732 and name ca)
(resid 732 and name cb)
(resid 732 and name cg ) 1.0 -60.0 60.0 2 ! Lys -60
assign (resid 734 and name n)
(resid 734 and name ca)
(resid 734 and name cb)
(resid 734 and name cg ) 1.0 60.0 60.0 2 ! Asn 60
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