NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type | subtype | subsubtype |
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5419 |
1hej   |
4900 | cing | recoord | 1-original | 3 | XPLOR/CNS | distance | NOE | ambi |
! AMBIGUOUS NOES
! First set, added 29 August
assign (resid 586 and name he1 )
((resid 586 and name hd1 ) or (resid 622 and name hd2+ )) 2.50 0.60 0.00 ! 10
assign (resid 606 and name hn )
((resid 606 and name hg ) or (resid 606 and name hb+ )) 2.50 0.60 0.00 ! 11
assign (resid 570 and name he1 )
((resid 570 and name hz2 ) or (resid 570 and name hd1 )) 2.50 0.60 0.00 ! 12
assign (resid 590 and name hn )
((resid 588 and name hg++ ) or (resid 613 and name hg1+ )) 5.50 3.60 0.00 ! 4
assign (resid 592 and name hn )
((resid 591 and name hn ) or (resid 613 and name hn )) 5.50 3.60 0.00 ! 4
assign (resid 612 and name hn )
((resid 613 and name hg2+ ) or (resid 598 and name hg1+ )) 6.00 3.60 0.00 ! 2
assign (resid 560 and name hb+ )
((resid 581 and name hn ) or (resid 641 and name hn )) 6.00 3.60 0.00 ! 3
assign ((resid 641 and name hn ) or (resid 581 and name hn ))
((resid 580 and name hb ) or (resid 640 and name hg2+ )) 3.35 1.45 0.00 ! 7
assign (resid 598 and name hn )
((resid 609 and name ha ) or (resid 610 and name ha )) 3.70 1.80 0.00 ! 6
assign (resid 616 and name hn )
((resid 616 and name ha ) or (resid 605 and name ha )) 3.70 1.80 0.00 ! 6
assign (resid 629 and name hn )
((resid 630 and name ha ) or (resid 596 and name ha )) 6.00 3.60 0.00 ! 1
assign (resid 576 and name hn )
((resid 574 and name hd+ ) or (resid 574 and name he+ )) 6.00 3.60 0.00 ! 1
assign (resid 630 and name hn )
((resid 630 and name hb+ ) or (resid 630 and name hd+ )) 3.70 1.80 0.00 ! 6
assign (resid 575 and name hn )
((resid 575 and name hd2+ ) or (resid 569 and name hn )) 6.00 3.60 0.00 ! 1
assign (resid 569 and name hn )
((resid 569 and name hb+ ) or (resid 568 and name hg+ )) 3.04 1.14 0.00 ! 8
assign (resid 607 and name hn )
((resid 608 and name ha+ ) or (resid 614 and name hb )) 6.00 3.60 0.00 ! 3
assign (resid 607 and name hn )
((resid 606 and name hg ) or (resid 606 and name hb+ )) 2.75 0.85 0.00 ! 9
assign (resid 584 and name hn )
((resid 582 and name ha+ ) or (resid 583 and name ha )) 3.70 1.80 0.00 ! 6
assign (resid 584 and name hn )
((resid 584 and name hb+ ) or (resid 583 and name hb+ )) 4.51 2.61 0.00 ! 5
assign (resid 593 and name hn )
((resid 592 and name hb1 ) or (resid 637 and name hb+ )) 3.35 1.45 0.00 ! 7
assign (resid 587 and name hn )
((resid 587 and name hb ) or (resid 588 and name hb )) 3.04 1.14 0.00 ! 8
assign (resid 614 and name hn )
((resid 606 and name hg ) or (resid 606 and name hb+ )) 6.00 3.60 0.00 ! 3
assign (resid 560 and name hn )
((resid 561 and name ha ) or (resid 642 and name ha )) 6.00 3.60 0.00 ! 3
assign (resid 633 and name hn )
((resid 630 and name hb+ ) or (resid 630 and name hd+ )) 5.50 3.60 0.00 ! 4
assign (resid 574 and name hn )
((resid 628 and name hb1 ) or (resid 573 and name hd+ )) 6.00 3.60 0.00 ! 2
assign (resid 574 and name hn )
((resid 628 and name hb2 ) or (resid 573 and name hg+ )) 3.35 1.45 0.00 ! 7
assign (resid 610 and name hn )
((resid 598 and name hg1+ ) or (resid 613 and name hg2+ )) 3.35 1.45 0.00 ! 7
assign (resid 561 and name hn )
((resid 560 and name hn ) or (resid 582 and name hn )) 5.50 3.60 0.00 ! 4
assign (resid 567 and name hn )
((resid 566 and name hg+ ) or (resid 565 and name hb )) 3.04 1.14 0.00 ! 8
assign (resid 631 and name hn )
((resid 630 and name hb+ ) or (resid 630 and name hd+ )) 3.35 1.45 0.00 ! 7
assign (resid 604 and name hn )
((resid 603 and name hb+ ) or (resid 601 and name hb+ )) 6.00 3.60 0.00 ! 3
assign (resid 640 and name hn )
((resid 562 and name hg++ ) or (resid 588 and name hg++ )) 3.35 1.45 0.00 ! 7
assign (resid 582 and name hn )
((resid 582 and name ha+ ) or (resid 581 and name hb+ )) 3.04 1.14 0.00 ! 8
assign (resid 591 and name hn )
((resid 589 and name hb ) or (resid 592 and name ha )) 6.00 3.60 0.00 ! 1
assign (resid 600 and name hn )
((resid 598 and name ha ) or (resid 601 and name hb+ )) 4.51 2.61 0.00 ! 5
assign (resid 600 and name hn )
((resid 598 and name hg2+ ) or (resid 627 and name hg2+ )) 4.51 2.61 0.00 ! 5
assign (resid 596 and name he2+ )
((resid 592 and name ha ) or (resid 633 and name hb+ )) 6.00 3.60 0.00 ! 1
assign (resid 625 and name hn )
((resid 601 and name hb+ ) or (resid 603 and name hb+ )) 4.51 2.61 0.00 ! 5
assign (resid 625 and name hn )
((resid 626 and name hg++ ) or (resid 604 and name hb+ )) 5.50 3.60 0.00 ! 4
assign (resid 628 and name hn )
((resid 628 and name hb1 ) or (resid 573 and name hd+ )) 5.50 3.60 0.00 ! 4
assign (resid 579 and name hn )
((resid 578 and name hb2 ) or (resid 565 and name hg2+ )) 5.50 3.60 0.00 ! 4
assign (resid 636 and name hn )
((resid 636 and name ha ) or (resid 636 and name hb )) 2.50 0.60 0.00 ! 10
assign (resid 630 and name hn )
((resid 574 and name hd+ ) or (resid 574 and name he+ )) 6.00 3.60 0.00 ! 1
!
! Second set of ambiguous NOEs, added 7 Sept
assign (resid 632 and name hn )
((resid 630 and name hb+ ) or (resid 630 and name hd+ )) 5.50 3.60 0.00 ! 2
assign (resid 641 and name hb2 )
((resid 561 and name hn ) or (resid 562 and name hn )) 4.97 3.07 0.00 ! 3
assign (resid 633 and name hn )
((resid 632 and name ha+ ) or (resid 633 and name hb+ )) 3.70 1.80 0.00 ! 6
assign (resid 628 and name hz )
((resid 626 and name hg++ ) or (resid 637 and name hg++ )) 3.35 1.45 0.00 ! 7
assign (resid 628 and name he+ )
((resid 626 and name hg++ ) or (resid 637 and name hg++ )) 3.04 1.14 0.00 ! 8
assign (resid 628 and name hd+ )
((resid 626 and name hg++ ) or (resid 637 and name hg++ )) 3.70 1.80 0.00 ! 6
assign (resid 610 and name hn )
((resid 610 and name ha ) or (resid 609 and name ha )) 3.04 1.14 0.00 ! 8
assign (resid 588 and name hn )
((resid 588 and name hb ) or (resid 587 and name hb )) 3.04 1.14 0.00 ! 8
assign (resid 583 and name hn )
((resid 583 and name ha ) or (resid 582 and name ha+ )) 3.70 1.80 0.00 ! 6
assign (resid 628 and name he+ )
((resid 598 and name hg1+ ) or (resid 613 and name hg2+ )) 5.50 3.60 0.00 ! 2
assign (resid 628 and name he+ )
((resid 626 and name hg++ ) or (resid 613 and name hg1+ )) 4.97 3.07 0.00 ! 3
assign (resid 606 and name hd++ )
((resid 606 and name hg ) or (resid 606 and name hb+ )) 2.50 0.60 0.00 ! 10
assign (resid 577 and name hg2+ )
((resid 579 and name hb1 ) or (resid 623 and name hb+ )) 4.08 2.18 0.00 ! 5
assign (resid 639 and name hb+ )
((resid 562 and name hg++ ) or (resid 588 and name hg++ )) 2.50 0.60 0.00 ! 10
assign (resid 641 and name ha )
((resid 562 and name hg++ ) or (resid 588 and name hg++ )) 3.35 1.45 0.00 ! 7
assign (resid 640 and name ha )
((resid 562 and name hg++ ) or (resid 588 and name hg++ )) 3.35 1.45 0.00 ! 7
assign (resid 564 and name ha )
((resid 578 and name hb2 ) or (resid 565 and name hg2+ )) 4.97 3.07 0.00 ! 3
assign (resid 578 and name hb2 )
((resid 578 and name hd+ ) or (resid 624 and name hz )) 2.75 0.85 0.00 ! 9
assign (resid 630 and name ha )
((resid 630 and name hb+ ) or (resid 630 and name hd+ )) 3.70 1.80 0.00 ! 6
assign (resid 606 and name hd++ )
((resid 601 and name hb+ ) or (resid 608 and name ha+ )) 4.51 2.61 0.00 ! 4
assign ((resid 574 and name he+ ) or (resid 570 and name hh2 ))
((resid 637 and name hg+ ) or (resid 568 and name hb2 )) 4.08 2.18 0.00 ! 5
assign ((resid 596 and name hg2 ) or (resid 560 and name hb+ ))
((resid 592 and name hd++ ) or (resid 587 and name hg++ )) 5.50 3.60 0.00 ! 2
assign ((resid 565 and name hg1+ ) or (resid 587 and name hg++ ))
((resid 586 and name ha ) or (resid 578 and name ha )) 3.70 1.80 0.00 ! 6
assign ((resid 641 and name ha ) or (resid 627 and name ha ))
((resid 641 and name hb2 ) or (resid 575 and name hb2 )) 5.50 3.60 0.00 ! 2
assign ((resid 602 and name hb1 ) or (resid 586 and name hb+ ))
((resid 601 and name ha ) or (resid 586 and name ha )) 3.04 1.14 0.00 ! 8
assign ((resid 635 and name ha ) or (resid 607 and name hb ))
((resid 635 and name hb+ ) or (resid 607 and name hg2+ )) 2.50 0.60 0.00 ! 10
assign ((resid 558 and name ha1 ) or (resid 638 and name ha+ ))
((resid 643 and name hg2+ ) or (resid 639 and name hb+ )) 3.70 1.80 0.00 ! 6
!
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