NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
643560 |
6so9   |
34428 | cing | 1-original | 5 | XPLOR/CNS | dihedral angle |
!!Chi1 from Talos-n
assign (segid " A" and resid 514 and name N ) (segid " A" and resid 514 and name CA )
(segid " A" and resid 514 and name CB ) (segid " A" and resid 514 and name CG ) 1.0 -66.9 7.8 2
assign (segid " A" and resid 515 and name N ) (segid " A" and resid 515 and name CA )
(segid " A" and resid 515 and name CB ) (segid " A" and resid 515 and name CG ) 1.0 -65.3 11.8 2
assign (segid " A" and resid 520 and name N ) (segid " A" and resid 520 and name CA )
(segid " A" and resid 520 and name CB ) (segid " A" and resid 520 and name CG ) 1.0 -57.9 14.3 2
assign (segid " A" and resid 521 and name N ) (segid " A" and resid 521 and name CA )
(segid " A" and resid 521 and name CB ) (segid " A" and resid 521 and name CG1 ) 1.0 -178.3 5.8 2
assign (segid " A" and resid 522 and name N ) (segid " A" and resid 522 and name CA )
(segid " A" and resid 522 and name CB ) (segid " A" and resid 522 and name CG1 ) 1.0 -179.4 5.0 2
assign (segid " A" and resid 523 and name N ) (segid " A" and resid 523 and name CA )
(segid " A" and resid 523 and name CB ) (segid " A" and resid 523 and name CG ) 1.0 -178.8 8.0 2
assign (segid " A" and resid 524 and name N ) (segid " A" and resid 524 and name CA )
(segid " A" and resid 524 and name CB ) (segid " A" and resid 524 and name CG1 ) 1.0 -59.9 10.1 2
assign (segid " A" and resid 526 and name N ) (segid " A" and resid 526 and name CA )
(segid " A" and resid 526 and name CB ) (segid " A" and resid 526 and name CG ) 1.0 -57.8 8.6 2
assign (segid " A" and resid 532 and name N ) (segid " A" and resid 532 and name CA )
(segid " A" and resid 532 and name CB ) (segid " A" and resid 532 and name SG ) 1.0 -57.2 5.8 2
assign (segid " A" and resid 533 and name N ) (segid " A" and resid 533 and name CA )
(segid " A" and resid 533 and name CB ) (segid " A" and resid 533 and name OG1 ) 1.0 66.4 4.1 2
assign (segid " A" and resid 536 and name N ) (segid " A" and resid 536 and name CA )
(segid " A" and resid 536 and name CB ) (segid " A" and resid 536 and name CG ) 1.0 -68.1 10.7 2
assign (segid " A" and resid 537 and name N ) (segid " A" and resid 537 and name CA )
(segid " A" and resid 537 and name CB ) (segid " A" and resid 537 and name CG1 ) 1.0 176.3 8.9 2
assign (segid " A" and resid 538 and name N ) (segid " A" and resid 538 and name CA )
(segid " A" and resid 538 and name CB ) (segid " A" and resid 538 and name CG1 ) 1.0 -67.5 5.8 2
assign (segid " A" and resid 539 and name N ) (segid " A" and resid 539 and name CA )
(segid " A" and resid 539 and name CB ) (segid " A" and resid 539 and name CG ) 1.0 -69.7 9.4 2
assign (segid " A" and resid 540 and name N ) (segid " A" and resid 540 and name CA )
(segid " A" and resid 540 and name CB ) (segid " A" and resid 540 and name CG ) 1.0 -68.7 5.7 2
assign (segid " A" and resid 542 and name N ) (segid " A" and resid 542 and name CA )
(segid " A" and resid 542 and name CB ) (segid " A" and resid 542 and name CG ) 1.0 -72.1 9.1 2
assign (segid " A" and resid 544 and name N ) (segid " A" and resid 544 and name CA )
(segid " A" and resid 544 and name CB ) (segid " A" and resid 544 and name CG ) 1.0 -61.7 7.3 2
assign (segid " A" and resid 547 and name N ) (segid " A" and resid 547 and name CA )
(segid " A" and resid 547 and name CB ) (segid " A" and resid 547 and name CG1 ) 1.0 -178.6 5.2 2
assign (segid " A" and resid 548 and name N ) (segid " A" and resid 548 and name CA )
(segid " A" and resid 548 and name CB ) (segid " A" and resid 548 and name OG1 ) 1.0 56.2 5.5 2
assign (segid " A" and resid 549 and name N ) (segid " A" and resid 549 and name CA )
(segid " A" and resid 549 and name CB ) (segid " A" and resid 549 and name CG ) 1.0 -64.1 10.1 2
assign (segid " A" and resid 550 and name N ) (segid " A" and resid 550 and name CA )
(segid " A" and resid 550 and name CB ) (segid " A" and resid 550 and name CG ) 1.0 65.1 8.6 2
assign (segid " A" and resid 551 and name N ) (segid " A" and resid 551 and name CA )
(segid " A" and resid 551 and name CB ) (segid " A" and resid 551 and name CG1 ) 1.0 -56.6 7.4 2
assign (segid " A" and resid 553 and name N ) (segid " A" and resid 553 and name CA )
(segid " A" and resid 553 and name CB ) (segid " A" and resid 553 and name CG ) 1.0 -66.6 21.4 2
assign (segid " A" and resid 555 and name N ) (segid " A" and resid 555 and name CA )
(segid " A" and resid 555 and name CB ) (segid " A" and resid 555 and name OG ) 1.0 66.3 7.6 2
assign (segid " A" and resid 556 and name N ) (segid " A" and resid 556 and name CA )
(segid " A" and resid 556 and name CB ) (segid " A" and resid 556 and name OG1 ) 1.0 61.3 6.1 2
assign (segid " A" and resid 557 and name N ) (segid " A" and resid 557 and name CA )
(segid " A" and resid 557 and name CB ) (segid " A" and resid 557 and name CG ) 1.0 -62.2 9.1 2
assign (segid " A" and resid 558 and name N ) (segid " A" and resid 558 and name CA )
(segid " A" and resid 558 and name CB ) (segid " A" and resid 558 and name CG ) 1.0 -60.3 6.8 2
assign (segid " A" and resid 560 and name N ) (segid " A" and resid 560 and name CA )
(segid " A" and resid 560 and name CB ) (segid " A" and resid 560 and name CG ) 1.0 -60.8 7.2 2
assign (segid " A" and resid 563 and name N ) (segid " A" and resid 563 and name CA )
(segid " A" and resid 563 and name CB ) (segid " A" and resid 563 and name CG ) 1.0 -61.6 11.2 2
assign (segid " A" and resid 565 and name N ) (segid " A" and resid 565 and name CA )
(segid " A" and resid 565 and name CB ) (segid " A" and resid 565 and name CG ) 1.0 -59.6 12.7 2
assign (segid " A" and resid 573 and name N ) (segid " A" and resid 573 and name CA )
(segid " A" and resid 573 and name CB ) (segid " A" and resid 573 and name CG1 ) 1.0 174.9 5.9 2
assign (segid " A" and resid 574 and name N ) (segid " A" and resid 574 and name CA )
(segid " A" and resid 574 and name CB ) (segid " A" and resid 574 and name CG ) 1.0 -65.9 9.1 2
assign (segid " A" and resid 575 and name N ) (segid " A" and resid 575 and name CA )
(segid " A" and resid 575 and name CB ) (segid " A" and resid 575 and name CG ) 1.0 179.2 7.3 2
assign (segid " A" and resid 576 and name N ) (segid " A" and resid 576 and name CA )
(segid " A" and resid 576 and name CB ) (segid " A" and resid 576 and name CG ) 1.0 -67.0 9.9 2
assign (segid " A" and resid 577 and name N ) (segid " A" and resid 577 and name CA )
(segid " A" and resid 577 and name CB ) (segid " A" and resid 577 and name CG ) 1.0 -65.7 7.7 2
assign (segid " A" and resid 578 and name N ) (segid " A" and resid 578 and name CA )
(segid " A" and resid 578 and name CB ) (segid " A" and resid 578 and name CG ) 1.0 -64.0 10.6 2
assign (segid " A" and resid 579 and name N ) (segid " A" and resid 579 and name CA )
(segid " A" and resid 579 and name CB ) (segid " A" and resid 579 and name CG ) 1.0 -66.4 11.3 2
assign (segid " A" and resid 582 and name N ) (segid " A" and resid 582 and name CA )
(segid " A" and resid 582 and name CB ) (segid " A" and resid 582 and name CG1 ) 1.0 -55.4 7.4 2
assign (segid " A" and resid 583 and name N ) (segid " A" and resid 583 and name CA )
(segid " A" and resid 583 and name CB ) (segid " A" and resid 583 and name CG1 ) 1.0 -57.3 9.8 2
assign (segid " A" and resid 584 and name N ) (segid " A" and resid 584 and name CA )
(segid " A" and resid 584 and name CB ) (segid " A" and resid 584 and name CG ) 1.0 -62.1 6.5 2
assign (segid " A" and resid 588 and name N ) (segid " A" and resid 588 and name CA )
(segid " A" and resid 588 and name CB ) (segid " A" and resid 588 and name CG ) 1.0 -60.7 9.2 2
assign (segid " A" and resid 590 and name N ) (segid " A" and resid 590 and name CA )
(segid " A" and resid 590 and name CB ) (segid " A" and resid 590 and name CG1 ) 1.0 -60.7 7.3 2
assign (segid " A" and resid 592 and name N ) (segid " A" and resid 592 and name CA )
(segid " A" and resid 592 and name CB ) (segid " A" and resid 592 and name CG ) 1.0 -66.5 12.3 2
assign (segid " A" and resid 594 and name N ) (segid " A" and resid 594 and name CA )
(segid " A" and resid 594 and name CB ) (segid " A" and resid 594 and name OG1 ) 1.0 57.9 9.8 2
assign (segid " A" and resid 595 and name N ) (segid " A" and resid 595 and name CA )
(segid " A" and resid 595 and name CB ) (segid " A" and resid 595 and name CG ) 1.0 -69.2 12.7 2
assign (segid " A" and resid 596 and name N ) (segid " A" and resid 596 and name CA )
(segid " A" and resid 596 and name CB ) (segid " A" and resid 596 and name CG ) 1.0 -64.3 10.5 2
assign (segid " A" and resid 597 and name N ) (segid " A" and resid 597 and name CA )
(segid " A" and resid 597 and name CB ) (segid " A" and resid 597 and name CG ) 1.0 -61.5 8.9 2
assign (segid " A" and resid 599 and name N ) (segid " A" and resid 599 and name CA )
(segid " A" and resid 599 and name CB ) (segid " A" and resid 599 and name CG ) 1.0 -62.5 10.6 2
assign (segid " A" and resid 602 and name N ) (segid " A" and resid 602 and name CA )
(segid " A" and resid 602 and name CB ) (segid " A" and resid 602 and name CG ) 1.0 -63.5 8.4 2
assign (segid " A" and resid 603 and name N ) (segid " A" and resid 603 and name CA )
(segid " A" and resid 603 and name CB ) (segid " A" and resid 603 and name CG ) 1.0 -61.8 7.5 2
assign (segid " A" and resid 611 and name N ) (segid " A" and resid 611 and name CA )
(segid " A" and resid 611 and name CB ) (segid " A" and resid 611 and name CG1 ) 1.0 -66.7 4.9 2
assign (segid " A" and resid 613 and name N ) (segid " A" and resid 613 and name CA )
(segid " A" and resid 613 and name CB ) (segid " A" and resid 613 and name CG ) 1.0 -65.3 9.8 2
assign (segid " A" and resid 615 and name N ) (segid " A" and resid 615 and name CA )
(segid " A" and resid 615 and name CB ) (segid " A" and resid 615 and name CG1 ) 1.0 -68.2 6.6 2
assign (segid " A" and resid 616 and name N ) (segid " A" and resid 616 and name CA )
(segid " A" and resid 616 and name CB ) (segid " A" and resid 616 and name CG ) 1.0 -67.9 10.4 2
assign (segid " A" and resid 618 and name N ) (segid " A" and resid 618 and name CA )
(segid " A" and resid 618 and name CB ) (segid " A" and resid 618 and name CG ) 1.0 -66.1 7.7 2
assign (segid " A" and resid 619 and name N ) (segid " A" and resid 619 and name CA )
(segid " A" and resid 619 and name CB ) (segid " A" and resid 619 and name CG ) 1.0 -61.8 10.4 2
!!chi-2 from SideR
!!Ile
assign (segid " A" and resid 524 and name CA ) (segid " A" and resid 524 and name CB )
(segid " A" and resid 524 and name CG1 ) (segid " A" and resid 524 and name CD1 ) 1.0 180 10.0 2
assign (segid " A" and resid 538 and name CA ) (segid " A" and resid 538 and name CB )
(segid " A" and resid 538 and name CG1 ) (segid " A" and resid 538 and name CD1 ) 1.0 180 10.0 2
assign (segid " A" and resid 551 and name CA ) (segid " A" and resid 551 and name CB )
(segid " A" and resid 551 and name CG1 ) (segid " A" and resid 551 and name CD1 ) 1.0 180 10.0 2
assign (segid " A" and resid 582 and name CA ) (segid " A" and resid 582 and name CB )
(segid " A" and resid 582 and name CG1 ) (segid " A" and resid 582 and name CD1 ) 1.0 180 10.0 2
assign (segid " A" and resid 590 and name CA ) (segid " A" and resid 590 and name CB )
(segid " A" and resid 590 and name CG1 ) (segid " A" and resid 590 and name CD1 ) 1.0 180 10.0 2
assign (segid " A" and resid 611 and name CA ) (segid " A" and resid 611 and name CB )
(segid " A" and resid 611 and name CG1 ) (segid " A" and resid 611 and name CD1 ) 1.0 180 10.0 2
assign (segid " A" and resid 612 and name CA ) (segid " A" and resid 612 and name CB )
(segid " A" and resid 612 and name CG1 ) (segid " A" and resid 612 and name CD1 ) 1.0 180 10.0 2
assign (segid " A" and resid 612 and name N ) (segid " A" and resid 612 and name CA )
(segid " A" and resid 612 and name CB ) (segid " A" and resid 612 and name CG1 ) 1.0 -60 10.0 2
assign (segid " A" and resid 615 and name CA ) (segid " A" and resid 615 and name CB )
(segid " A" and resid 615 and name CG1 ) (segid " A" and resid 615 and name CD1 ) 1.0 180 10.0 2
!!Leu
assign (segid " A" and resid 527 and name CA ) (segid " A" and resid 527 and name CB )
(segid " A" and resid 527 and name CG ) (segid " A" and resid 527 and name CD1 ) 1.0 180 10.0 2
assign (segid " A" and resid 527 and name N ) (segid " A" and resid 527 and name CA )
(segid " A" and resid 527 and name CB ) (segid " A" and resid 527 and name CG ) 1.0 -60 10.0 2
assign (segid " A" and resid 540 and name CA ) (segid " A" and resid 540 and name CB )
(segid " A" and resid 540 and name CG ) (segid " A" and resid 540 and name CD1 ) 1.0 180 10.0 2
assign (segid " A" and resid 542 and name CA ) (segid " A" and resid 542 and name CB )
(segid " A" and resid 542 and name CG ) (segid " A" and resid 542 and name CD1 ) 1.0 180 10.0 2
assign (segid " A" and resid 552 and name CA ) (segid " A" and resid 552 and name CB )
(segid " A" and resid 552 and name CG ) (segid " A" and resid 552 and name CD1 ) 1.0 180 10.0 2
assign (segid " A" and resid 552 and name N ) (segid " A" and resid 552 and name CA )
(segid " A" and resid 552 and name CB ) (segid " A" and resid 552 and name CG ) 1.0 -60 10.0 2
assign (segid " A" and resid 588 and name CA ) (segid " A" and resid 588 and name CB )
(segid " A" and resid 588 and name CG ) (segid " A" and resid 588 and name CD1 ) 1.0 180 10.0 2
assign (segid " A" and resid 599 and name CA ) (segid " A" and resid 599 and name CB )
(segid " A" and resid 599 and name CG ) (segid " A" and resid 599 and name CD1 ) 1.0 180 10.0 2
assign (segid " A" and resid 601 and name CA ) (segid " A" and resid 601 and name CB )
(segid " A" and resid 601 and name CG ) (segid " A" and resid 601 and name CD1 ) 1.0 180 10.0 2
assign (segid " A" and resid 601 and name N ) (segid " A" and resid 601 and name CA )
(segid " A" and resid 601 and name CB ) (segid " A" and resid 601 and name CG ) 1.0 -60 10.0 2
assign (segid " A" and resid 589 and name CA ) (segid " A" and resid 589 and name CB )
(segid " A" and resid 589 and name CG ) (segid " A" and resid 589 and name CD1 ) 1.0 60 10.0 2
assign (segid " A" and resid 589 and name N ) (segid " A" and resid 589 and name CA )
(segid " A" and resid 589 and name CB ) (segid " A" and resid 589 and name CG ) 1.0 180 10.0 2
!!Val
assign (segid " A" and resid 608 and name N ) (segid " A" and resid 608 and name CA )
(segid " A" and resid 608 and name CB ) (segid " A" and resid 608 and name CG1 ) 1.0 -180 10.0 2
!! Chi (anti/syn) from 2D NOESY crosspeaks A1=anti, U2=anti, C3=anti, U4=anti, U5=anti, A6=anti
assign ( segid " B" and resid 2 and name O4') ( segid " B" and resid 2 and name C1') ( segid " B" and resid 2 and name N1) ( segid " B" and resid 2 and name C2) 1 -120 60 2
assign ( segid " B" and resid 3 and name O4') ( segid " B" and resid 3 and name C1') ( segid " B" and resid 3 and name N1) ( segid " B" and resid 3 and name C2) 1 -120 60 2
assign ( segid " B" and resid 4 and name O4') ( segid " B" and resid 4 and name C1') ( segid " B" and resid 4 and name N1) ( segid " B" and resid 4 and name C2) 1 -120 60 2
assign ( segid " B" and resid 5 and name O4') ( segid " B" and resid 5 and name C1') ( segid " B" and resid 5 and name N1) ( segid " B" and resid 5 and name C2) 1 -120 60 2
!! Restrain all 6 nucleotides to 2' endo based on strong H1'-H2' Tocsy crosspeak !!
assign ( segid " B" and resid 1 and name C4') ( segid " B" and resid 1 and name O4')
( segid " B" and resid 1 and name C1') ( segid " B" and resid 1 and name C2') 2 -21 5 2
assign ( segid " B" and resid 1 and name O4') ( segid " B" and resid 1 and name C1')
( segid " B" and resid 1 and name C2') ( segid " B" and resid 1 and name C3') 2 35 5 2
assign ( segid " B" and resid 1 and name C1') ( segid " B" and resid 1 and name C2')
( segid " B" and resid 1 and name C3') ( segid " B" and resid 1 and name C4') 2 -35 5 2
assign ( segid " B" and resid 1 and name C2') ( segid " B" and resid 1 and name C3')
( segid " B" and resid 1 and name C4') ( segid " B" and resid 1 and name O4') 2 24 5 2
assign ( segid " B" and resid 2 and name C4') ( segid " B" and resid 2 and name O4')
( segid " B" and resid 2 and name C1') ( segid " B" and resid 2 and name C2') 2 -21 5 2
assign ( segid " B" and resid 2 and name O4') ( segid " B" and resid 2 and name C1')
( segid " B" and resid 2 and name C2') ( segid " B" and resid 2 and name C3') 2 35 5 2
assign ( segid " B" and resid 2 and name C1') ( segid " B" and resid 2 and name C2')
( segid " B" and resid 2 and name C3') ( segid " B" and resid 2 and name C4') 2 -35 5 2
assign ( segid " B" and resid 2 and name C2') ( segid " B" and resid 2 and name C3')
( segid " B" and resid 2 and name C4') ( segid " B" and resid 2 and name O4') 2 24 5 2
assign ( segid " B" and resid 3 and name C4') ( segid " B" and resid 3 and name O4')
( segid " B" and resid 3 and name C1') ( segid " B" and resid 3 and name C2') 2 -21 5 2
assign ( segid " B" and resid 3 and name O4') ( segid " B" and resid 3 and name C1')
( segid " B" and resid 3 and name C2') ( segid " B" and resid 3 and name C3') 2 35 5 2
assign ( segid " B" and resid 3 and name C1') ( segid " B" and resid 3 and name C2')
( segid " B" and resid 3 and name C3') ( segid " B" and resid 3 and name C4') 2 -35 5 2
assign ( segid " B" and resid 3 and name C2') ( segid " B" and resid 3 and name C3')
( segid " B" and resid 3 and name C4') ( segid " B" and resid 3 and name O4') 2 24 5 2
assign ( segid " B" and resid 4 and name C4') ( segid " B" and resid 4 and name O4')
( segid " B" and resid 4 and name C1') ( segid " B" and resid 4 and name C2') 2 -21 5 2
assign ( segid " B" and resid 4 and name O4') ( segid " B" and resid 4 and name C1')
( segid " B" and resid 4 and name C2') ( segid " B" and resid 4 and name C3') 2 35 5 2
assign ( segid " B" and resid 4 and name C1') ( segid " B" and resid 4 and name C2')
( segid " B" and resid 4 and name C3') ( segid " B" and resid 4 and name C4') 2 -35 5 2
assign ( segid " B" and resid 4 and name C2') ( segid " B" and resid 4 and name C3')
( segid " B" and resid 4 and name C4') ( segid " B" and resid 4 and name O4') 2 24 5 2
assign ( segid " B" and resid 5 and name C4') ( segid " B" and resid 5 and name O4')
( segid " B" and resid 5 and name C1') ( segid " B" and resid 5 and name C2') 2 -21 5 2
assign ( segid " B" and resid 5 and name O4') ( segid " B" and resid 5 and name C1')
( segid " B" and resid 5 and name C2') ( segid " B" and resid 5 and name C3') 2 35 5 2
assign ( segid " B" and resid 5 and name C1') ( segid " B" and resid 5 and name C2')
( segid " B" and resid 5 and name C3') ( segid " B" and resid 5 and name C4') 2 -35 5 2
assign ( segid " B" and resid 5 and name C2') ( segid " B" and resid 5 and name C3')
( segid " B" and resid 5 and name C4') ( segid " B" and resid 5 and name O4') 2 24 5 2
assign ( segid " B" and resid 6 and name C4') ( segid " B" and resid 6 and name O4')
( segid " B" and resid 6 and name C1') ( segid " B" and resid 6 and name C2') 2 -21 5 2
assign ( segid " B" and resid 6 and name O4') ( segid " B" and resid 6 and name C1')
( segid " B" and resid 6 and name C2') ( segid " B" and resid 6 and name C3') 2 35 5 2
assign ( segid " B" and resid 6 and name C1') ( segid " B" and resid 6 and name C2')
( segid " B" and resid 6 and name C3') ( segid " B" and resid 6 and name C4') 2 -35 5 2
assign ( segid " B" and resid 6 and name C2') ( segid " B" and resid 6 and name C3')
( segid " B" and resid 6 and name C4') ( segid " B" and resid 6 and name O4') 2 24 5 2
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