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	subtype	subsubtype
	278971	2khc R C	16236	cing	1-original	2	XPLOR/CNS	distance	hydrogen bond	simple
{  **** anti parallel B strands ****  }


{ **** link strands b4 to b1  **** }


assign (resid 521 and name o ) (resid 596 and name hn) 2.15 0.00 0.00
assign (resid 521 and name c ) (resid 596 and name n ) 4.35 0.00 0.00
assign (resid 521 and name o ) (resid 596 and name n ) 3.14 0.00 0.00
assign (resid 521 and name c ) (resid 596 and name hn) 3.38 0.00 0.00

assign (resid 596 and name o ) (resid 521 and name hn) 2.15 0.00 0.00
assign (resid 596 and name c ) (resid 521 and name n ) 4.35 0.00 0.00
assign (resid 596 and name o ) (resid 521 and name n ) 3.14 0.00 0.00
assign (resid 596 and name c ) (resid 521 and name hn) 3.38 0.00 0.00

assign (resid 523 and name o ) (resid 594 and name hn) 2.15 0.00 0.00
assign (resid 523 and name c ) (resid 594 and name n ) 4.35 0.00 0.00
assign (resid 523 and name o ) (resid 594 and name n ) 3.14 0.00 0.00
assign (resid 523 and name c ) (resid 594 and name hn) 3.38 0.00 0.00

assign (resid 594 and name o ) (resid 523 and name hn) 2.15 0.00 0.00
assign (resid 594 and name c ) (resid 523 and name n ) 4.35 0.00 0.00
assign (resid 594 and name o ) (resid 523 and name n ) 3.14 0.00 0.00
assign (resid 594 and name c ) (resid 523 and name hn) 3.38 0.00 0.00

assign (resid 525 and name o ) (resid 592 and name hn) 2.15 0.00 0.00
assign (resid 525 and name c ) (resid 592 and name n ) 4.35 0.00 0.00
assign (resid 525 and name o ) (resid 592 and name n ) 3.14 0.00 0.00
assign (resid 525 and name c ) (resid 592 and name hn) 3.38 0.00 0.00

assign (resid 592 and name o ) (resid 525 and name hn) 2.15 0.00 0.00
assign (resid 592 and name c ) (resid 525 and name n ) 4.35 0.00 0.00
assign (resid 592 and name o ) (resid 525 and name n ) 3.14 0.00 0.00
assign (resid 592 and name c ) (resid 525 and name hn) 3.38 0.00 0.00

{ **** link strands b1 to b3  **** }


assign (resid 520 and name o ) (resid 568 and name hn) 2.15 0.00 0.00
assign (resid 520 and name c ) (resid 568 and name n ) 4.35 0.00 0.00
assign (resid 520 and name o ) (resid 568 and name n ) 3.14 0.00 0.00
assign (resid 520 and name c ) (resid 568 and name hn) 3.38 0.00 0.00

assign (resid 568 and name o ) (resid 520 and name hn) 2.15 0.00 0.00
assign (resid 568 and name c ) (resid 520 and name n ) 4.35 0.00 0.00
assign (resid 568 and name o ) (resid 520 and name n ) 3.14 0.00 0.00
assign (resid 568 and name c ) (resid 520 and name hn) 3.38 0.00 0.00

assign (resid 522 and name o ) (resid 566 and name hn) 2.15 0.00 0.00
assign (resid 522 and name c ) (resid 566 and name n ) 4.35 0.00 0.00
assign (resid 522 and name o ) (resid 566 and name n ) 3.14 0.00 0.00
assign (resid 522 and name c ) (resid 566 and name hn) 3.38 0.00 0.00

assign (resid 566 and name o ) (resid 522 and name hn) 2.15 0.00 0.00
assign (resid 566 and name c ) (resid 522 and name n ) 4.35 0.00 0.00
assign (resid 566 and name o ) (resid 522 and name n ) 3.14 0.00 0.00
assign (resid 566 and name c ) (resid 522 and name hn) 3.38 0.00 0.00

assign (resid 524 and name o ) (resid 564 and name hn) 2.15 0.00 0.00
assign (resid 524 and name c ) (resid 564 and name n ) 4.35 0.00 0.00
assign (resid 524 and name o ) (resid 564 and name n ) 3.14 0.00 0.00
assign (resid 524 and name c ) (resid 564 and name hn) 3.38 0.00 0.00

assign (resid 564 and name o ) (resid 524 and name hn) 2.15 0.00 0.00
assign (resid 564 and name c ) (resid 524 and name n ) 4.35 0.00 0.00
assign (resid 564 and name o ) (resid 524 and name n ) 3.14 0.00 0.00
assign (resid 564 and name c ) (resid 524 and name hn) 3.38 0.00 0.00

assign (resid 526 and name o ) (resid 562 and name hn) 2.15 0.00 0.00
assign (resid 526 and name c ) (resid 562 and name n ) 4.35 0.00 0.00
assign (resid 526 and name o ) (resid 562 and name n ) 3.14 0.00 0.00
assign (resid 526 and name c ) (resid 562 and name hn) 3.38 0.00 0.00

assign (resid 562 and name o ) (resid 526 and name hn) 2.15 0.00 0.00
assign (resid 562 and name c ) (resid 526 and name n ) 4.35 0.00 0.00
assign (resid 562 and name o ) (resid 526 and name n ) 3.14 0.00 0.00
assign (resid 562 and name c ) (resid 526 and name hn) 3.38 0.00 0.00

{ **** link strands b3 to b2  **** }


assign (resid 569 and name o ) (resid 545 and name hn) 2.15 0.00 0.00
assign (resid 569 and name c ) (resid 545 and name n ) 4.35 0.00 0.00
assign (resid 569 and name o ) (resid 545 and name n ) 3.14 0.00 0.00
assign (resid 569 and name c ) (resid 545 and name hn) 3.38 0.00 0.00

assign (resid 545 and name o ) (resid 569 and name hn) 2.15 0.00 0.00
assign (resid 545 and name c ) (resid 569 and name n ) 4.35 0.00 0.00
assign (resid 545 and name o ) (resid 569 and name n ) 3.14 0.00 0.00
assign (resid 545 and name c ) (resid 569 and name hn) 3.38 0.00 0.00

assign (resid 547 and name o ) (resid 567 and name hn) 2.15 0.00 0.00
assign (resid 547 and name c ) (resid 567 and name n ) 4.35 0.00 0.00
assign (resid 547 and name o ) (resid 567 and name n ) 3.14 0.00 0.00
assign (resid 547 and name c ) (resid 567 and name hn) 3.38 0.00 0.00

assign (resid 567 and name o ) (resid 547 and name hn) 2.15 0.00 0.00
assign (resid 567 and name c ) (resid 547 and name n ) 4.35 0.00 0.00
assign (resid 567 and name o ) (resid 547 and name n ) 3.14 0.00 0.00
assign (resid 567 and name c ) (resid 547 and name hn) 3.38 0.00 0.00

assign (resid 549 and name o ) (resid 565 and name hn) 2.15 0.00 0.00
assign (resid 549 and name c ) (resid 565 and name n ) 4.35 0.00 0.00
assign (resid 549 and name o ) (resid 565 and name n ) 3.14 0.00 0.00
assign (resid 549 and name c ) (resid 565 and name hn) 3.38 0.00 0.00

assign (resid 565 and name o ) (resid 549 and name hn) 2.15 0.00 0.00
assign (resid 565 and name c ) (resid 549 and name n ) 4.35 0.00 0.00
assign (resid 565 and name o ) (resid 549 and name n ) 3.14 0.00 0.00
assign (resid 565 and name c ) (resid 549 and name hn) 3.38 0.00 0.00

assign (resid 551 and name o ) (resid 563 and name hn) 2.15 0.00 0.00
assign (resid 551 and name c ) (resid 563 and name n ) 4.35 0.00 0.00
assign (resid 551 and name o ) (resid 563 and name n ) 3.14 0.00 0.00
assign (resid 551 and name c ) (resid 563 and name hn) 3.38 0.00 0.00

assign (resid 563 and name o ) (resid 551 and name hn) 2.15 0.00 0.00
assign (resid 563 and name c ) (resid 551 and name n ) 4.35 0.00 0.00
assign (resid 563 and name o ) (resid 551 and name n ) 3.14 0.00 0.00
assign (resid 563 and name c ) (resid 551 and name hn) 3.38 0.00 0.00


{**mini strand between a2 and b4**}

 

assign (resid 586 and name o ) (resid 589 and name hn) 2.15 0.00 0.00
assign (resid 586 and name c ) (resid 589 and name n ) 4.35 0.00 0.00
assign (resid 586 and name o ) (resid 589 and name n ) 3.14 0.00 0.00
assign (resid 586 and name c ) (resid 589 and name hn) 3.38 0.00 0.00

assign (resid 589 and name o ) (resid 586 and name hn) 2.15 0.00 0.00
assign (resid 589 and name c ) (resid 586 and name n ) 4.35 0.00 0.00
assign (resid 589 and name o ) (resid 586 and name n ) 3.14 0.00 0.00
assign (resid 589 and name c ) (resid 586 and name hn) 3.38 0.00 0.00
 

{
assign (resid 584 and name o ) (resid 591 and name hn) 2.15 0.00 0.00
assign (resid 584 and name c ) (resid 591 and name n ) 4.35 0.00 0.00
assign (resid 584 and name o ) (resid 591 and name n ) 3.14 0.00 0.00
assign (resid 584 and name c ) (resid 591 and name hn) 3.38 0.00 0.00

assign (resid 591 and name o ) (resid 584 and name hn) 2.15 0.00 0.00
assign (resid 591 and name c ) (resid 584 and name n ) 4.35 0.00 0.00
assign (resid 591 and name o ) (resid 584 and name n ) 3.14 0.00 0.00
assign (resid 591 and name c ) (resid 584 and name hn) 3.38 0.00 0.00

assign (resid 582 and name o ) (resid 593 and name hn) 2.15 0.00 0.00
assign (resid 582 and name c ) (resid 593 and name n ) 4.35 0.00 0.00
assign (resid 582 and name o ) (resid 593 and name n ) 3.14 0.00 0.00
assign (resid 582 and name c ) (resid 593 and name hn) 3.38 0.00 0.00

assign (resid 593 and name o ) (resid 582 and name hn) 2.15 0.00 0.00
assign (resid 593 and name c ) (resid 582 and name n ) 4.35 0.00 0.00
assign (resid 593 and name o ) (resid 582 and name n ) 3.14 0.00 0.00
assign (resid 593 and name c ) (resid 582 and name hn) 3.38 0.00 0.00
}

{***alpha helix 1***}


assign (resid 533 and name o ) (resid 537 and name hn) 2.15 0.00 0.00
assign (resid 533 and name c ) (resid 537 and name n ) 4.35 0.00 0.00
assign (resid 533 and name o ) (resid 537 and name n ) 3.14 0.00 0.00
assign (resid 533 and name c ) (resid 537 and name hn) 3.38 0.00 0.00

assign (resid 534 and name o ) (resid 538 and name hn) 2.15 0.00 0.00
assign (resid 534 and name c ) (resid 538 and name n ) 4.35 0.00 0.00
assign (resid 534 and name o ) (resid 538 and name n ) 3.14 0.00 0.00
assign (resid 534 and name c ) (resid 538 and name hn) 3.38 0.00 0.00

assign (resid 535 and name o ) (resid 539 and name hn) 2.15 0.00 0.00
assign (resid 535 and name c ) (resid 539 and name n ) 4.35 0.00 0.00
assign (resid 535 and name o ) (resid 539 and name n ) 3.14 0.00 0.00
assign (resid 535 and name c ) (resid 539 and name hn) 3.38 0.00 0.00

assign (resid 536 and name o ) (resid 540 and name hn) 2.15 0.00 0.00
assign (resid 536 and name c ) (resid 540 and name n ) 4.35 0.00 0.00
assign (resid 536 and name o ) (resid 540 and name n ) 3.14 0.00 0.00
assign (resid 536 and name c ) (resid 540 and name hn) 3.38 0.00 0.00

assign (resid 537 and name o ) (resid 541 and name hn) 2.15 0.00 0.00
assign (resid 537 and name c ) (resid 541 and name n ) 4.35 0.00 0.00
assign (resid 537 and name o ) (resid 541 and name n ) 3.14 0.00 0.00
assign (resid 537 and name c ) (resid 541 and name hn) 3.38 0.00 0.00


{***alpha helix 2***}

assign (resid 573 and name o ) (resid 577 and name hn) 2.15 0.00 0.00
assign (resid 573 and name c ) (resid 577 and name n ) 4.35 0.00 0.00
assign (resid 573 and name o ) (resid 577 and name n ) 3.14 0.00 0.00
assign (resid 573 and name c ) (resid 577 and name hn) 3.38 0.00 0.00

assign (resid 574 and name o ) (resid 578 and name hn) 2.15 0.00 0.00
assign (resid 574 and name c ) (resid 578 and name n ) 4.35 0.00 0.00
assign (resid 574 and name o ) (resid 578 and name n ) 3.14 0.00 0.00
assign (resid 574 and name c ) (resid 578 and name hn) 3.38 0.00 0.00

assign (resid 575 and name o ) (resid 579 and name hn) 2.15 0.00 0.00
assign (resid 575 and name c ) (resid 579 and name n ) 4.35 0.00 0.00
assign (resid 575 and name o ) (resid 579 and name n ) 3.14 0.00 0.00
assign (resid 575 and name c ) (resid 579 and name hn) 3.38 0.00 0.00

assign (resid 576 and name o ) (resid 580 and name hn) 2.15 0.00 0.00
assign (resid 576 and name c ) (resid 580 and name n ) 4.35 0.00 0.00
assign (resid 576 and name o ) (resid 580 and name n ) 3.14 0.00 0.00
assign (resid 576 and name c ) (resid 580 and name hn) 3.38 0.00 0.00