NMR Restraints Grid

PDB id (or list)		What is the NMR Restraints Grid? The NMR Restraints Grid contains the original NMR data as collected for over 2500 protein and nucleic acid structures with corresponding PDB entries. In addition to the original restraints, most of the distance, dihedral angle and RDC restraint data (>85%) were parsed, and those in over 500 entries were converted and filtered. The converted and filtered data sets constitute the DOCR and FRED databases respectively as described in these references. For tips on using this interface and how to link to it, check the howto. A block is a section of data of similar type such as hydrogen bond distance restraints or RDCs.
BMRB id (or list)
Stage
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There are 13,671,280 parsed constraints in 10628 entries

Result table

	Type	Subtype	Subsubtype	Total	MR format	XPLOR/CNS	STAR	XML	DYANA/DIANA	Wattos	n/a	DISCOVER	unknown	AMBER	XEASY
Total				274312	21366	66945	70294	10445	56029	41944	2768	904	916	2022	186
	comment			26821	10687	4	13414				2715			1
	distance	NOE	simple	19820	50	5462	9526		3603			303	224	570
	distance	hydrogen bond	simple	8507	4	3081	4145		849			140	50	218
	distance	NOE not seen	simple	14		6	6
	distance	NOE build-up	simple	9		9
	dihedral angle			27467	34	10916	6935		8584		2	218	99	652
	nomenclature mapping			10553	10553
	entry	full		41946			31510	10436
	sequence			26423		16367	10		10040				6
	coordinate	ensemble		10037		10006			1				1	4
	distance	hydrogen bond	ambi	11786		3963	43		7780
	distance	general distance	ambi	36023		12109	71		23840			1		1
	check	stereo assignment	distance	8989						8989
	check	surplus	distance	9004						9004
	check	violation	distance	8998						8998
	check	violation	dihedral angle	5972						5972
	check	completeness	distance	8981						8981
	distance	NOE	ambi	3298		1524	1595		5			10	14	69
	distance	disulfide bond	simple	426	6	98	208		100			10	1	2
	coupling constant			281	20	193	1		38				10
	distance	general distance	simple	3009	6	520	1472		893			41	16	47
	stereochemistry	chirality		403		12			1			111	5	274
	stereochemistry	prochirality		82	1	1			1			68	7
	planarity			212		173							3	36
	stereospecific assignment			14	1				3				10
	chemical shift		format 3	26							26
	peak			385	2	38	2	9	13				20		171
	exchange			3									3
	chemical shift			277		135	45				5		49		14
	dipolar coupling			3504	2	2128	1211		83		3	1	43	28
	distance	NOE not seen	ambi	4		2	2
	unknown			550		85	8		20		1	1	322	111	1
	chemical shift		format 1	3							3
	distance	symmetry	simple	10		10
	angle			11									2	9
	pseudocontact shift			17					10		1		6
	molecular system			14		12							2
	protocol	structure calculation		14		9					2
	chemical shift anisotropy			12		11							1
	intervector projection angle			1		1
	chemical shift difference			6									6
	small-angle x-ray scattering			11									11
	n/a			10							10
	other			6			6
	coordinate	initial		48									2
	distance	disulfide bond	ambi	4		2	2
	coordinate	alignment tensor		3
	dihedral combo	ambi		153					153
	distance	PRE		161		68	80		12				1
	line-broadening			1									1
	relaxation			3			2						1