NMR Restraints Grid

Result table
(Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing in_recoord stage position type subsubtype

27857 2sob 4010 cing recoord 1-original 3 chemical shift format 3

!residue HN	N 	Ha	Hb		other
!
!A1						
!T2	7.95	118	4.36	4.74		gMe 1.20
!S3	8.47	120.8	4.59	3.87, 3.92	
!T4	8.27	118.7	4.37	4.64		gMe 1.23
!K5	8.22	125.7				
!K6	8.30	125	4.35	1.80		g 1.46; d 2.18
!L7	8.02	117.3	4.39	1.77		g 1.27; dMe1 0.90; d Me2 0.83
!H8	8.57	121	4.85	3.24, 3.16	d2 7.30; e1 8.62 
!K9	8.27	125.2	4.34	1.84, 1.77	g 1.45,1.41
!E10	8.53	126.2	4.62	1.96		g 2.34
!P11			5.00	2.37		g 2.02
!A12	8.16	122.3	5.04	1.40		
!T13	8.06	111.2	4.13	4.72		gMe 1.31
!L14	9.12	127.5	4.17	1.95		g 1.24; dMe 0.84
!I15	8.37	127.8	4.24	1.40		g 1.65; gMe 0.89; dMe 0.97
!K16	8.26	125.9	4.34	1.77		g 1.42
!A17	9.52	132.8	4.59	1.42		
!I18	7.99	127.7	3.88	1.60		g 1.84; gMe 0.85; dMe 1.09
!D19	8.21	120.1	4.53	3.05, 2.99	
!G20	8.49	105.6	3.84			
!D21	8.13	116.6	4.97	2.88, 2.58	
!T22	7.62	117.7	5.34	3.80		gMe 1.04
!V23	9.09	124.3	4.70	1.93		gMe 0.84
!K24	9.26	129.9	5.50	1.84		g 1.43; d 0.84; e 2.39
!L25	9.30	128.3	5.26	1.76, 1.55	g 1.46; dMe1 0.19; dMe2 0.79
!M26	9.47	123.9	4.87	2.30, 2.52	g 1.75
!Y27	9.11	132.3	5.01	3.24, 2.88	d 7.32; e 6.94
!K28	9.28	129.2	3.61	1.77		g 1.47
!G29	8.39	104.3	4.15, 3.59			
!Q30	7.91	121.7	5.06	2.16, 2.08	g 2.41; Nd 113.56; NHd1 7.48; NHd2 6.89
!P31			4.56	1.87		g 1.45; d 3.96"
!M32	8.98	125.1	5.06	2.42		g 2.11
!T33	8.26	119	4.64	4.36		gMe 1.52
!F34	9.30	127.7	5.27	2.70		d 6.91; e 6.52; z 6.45
!R35	8.99	124.2	5.31	1.56		g 1.42; d 2.69,3.11; Ne 86.88, NHe 7.21
!L36	8.53	127.2	4.43			g 1.65; dMe 0.80
!L37	7.49	127.5	4.15	1.09		g 1.48; dMe 0.99,0.55
!L38	9.41	127.8	4.64	2.19, 1.93	g 1.68; dME 0.75"
!V39	9.11	128.4	3.92	1.97		
!D40	8.44	123.1	4.36			
!T41	8.04	114.4	4.83	1.88		gMe 1.07
!P42			4.35	2.31		g 2.01; d 2.59
!E43	8.40	120.3	4.28	2.33		g 2.04
!T44	7.86	116	4.28	4.57		gMe 1.19
!K45	8.12	124.7	4.32	1.69		g 1.43
!H46	8.29	120.5	5.02	3.18		
!P47			4.57			
!K48	8.34	124.4	4.35	1.80		g 1.46; d 2.18"
!K49	8.49	124	4.34	1.81		g 1.48; d 2.32; e 3.02
!G50	8.47	112.8	4.01, 3.97			
!V51	7.96	120.8	4.16	2.11		gMe 0.94
!E52	8.49	126.1	4.29	1.96		g 2.29
!K53	8.13	123.7	4.25	1.70		g 1.38
!Y54	8.13	122	4.66	3.11, 2.97	d 7.11; e 6.81
!G55	8.26	112.4	4.17			
!P56			4.27	2.33		g 2.05; d 3.70
!E57	8.64	121.2	4.26	2.38		g 2.08
!A58	7.91	124.6	4.45	1.44		
!S59	8.12	115.6	4.23	3.94		
!A60	8.11	126	4.35	1.44		
!F61	8.09	121.7	4.28	3.22		d 7.27; e 7.40; z 7.33
!T62	8.18	117	3.71	4.08		gMe 1.20
!K63	7.66	122.8	3.72	1.80		g 1.23
!K64	7.75	118.5	3.98	1.95		g 1.32; d 0.82
!M65	7.52	118.1	4.27	2.06		g 2.43
!L66	8.20	120.1	3.94			dMe 0.91
!E67	8.52	119.6	3.88	2.07		g 2.52
!N68	7.57	115.6	4.76	2.86		"Ng 114.98, NHg1 7.68; NHg2 6.98
!A69	6.97	124.6	4.49	1.43		
!K70	10.09	127.1	4.42	2.06, 1.93	g 1.60
!K71	8.87	123.7	4.66	1.80		
!I72	8.92	130.9	5.25	1.86		g 1.56,1.45; gMe 0.69; dMe 0.91
!E73	8.84	125.8	5.31	1.84		g 2.02
!V74	9.59	119.3	5.18	1.48		gMe1 0.44; gMe2 0.30
!E75	9.02	127.3	5.00	2.28, 2.20	
!F76	8.55	124.4	5.04	3.29, 3.05	d 7.08, e 6.90
!D77	8.90	123.2	4.69	2.91, 2.61	
!K78	8.67	127.6	4.25	1.92		g 1.49
!G79	8.58	110	4.14, 3.85			
!Q80	7.75	121.6	4.28	2.15		g 2.34; Nd 113.95, NHd1 7.59; NHd2 7.01
!R81	8.41	124.6	4.48	1.85		g 2.29; d 3.03,3.22; Ne 86.96, NHe 7.28
!T82	8.11	117.7	4.34	4.72	 	gMe 1.23
!D83	8.44	122.1	4.66	2.74		
!K84	8.16	125.2	4.35	1.61		
!Y85	8.39	126.4	4.78	2.71, 2.61	d 7.06; e 6.82
!G86	8.12	110.6	4.17, 3.70			
!R87	8.46	122.4	4.34	1.81, 2.05	g 1.49,2.33; d 3.20,3.43, Ne 86.92, NHe 8.62
!V88	8.04	124	4.03	1.35		gMe1 0.55; gMe2 0.46
!L89	8.47	131.5	4.91	1.76		g 1.32; dMe 0.80,0.56
!A90	8.51	124.9	4.91	1.20		
!Y91	8.70	122	4.70	3.12, 2.74	d 7.02
!I92	8.61	124.5	4.91	1.47		g 1.55; gMe 0.75; dMe 0.82
!Y93	9.40	127.5	5.14	2.81, 2.45	d 6.67, e 6.69
!A94	9.27	127.7	5.05	1.18		
!D95	9.73	128.7	4.43	2.91, 1.22	
!G96	9.30	105.2	4.26, 3.66			
!K97	7.90	123.7	4.70	1.86		g 2.11, d 3.05
!M98	8.81	115.8	4.31	2.39		
!V99	9.42	133	3.87	1.93		gMe1 0.95; gMe2 0.73
!N100	7.88	119.3	3.98	2.47, 1.94	gN 114.02; gNH2 7.57,6.87
!E101	7.98	126.2	4.25	1.46, 1.74	g 3.20,2.04
!A102	7.30	126.7	4.14	1.63		
!L103	8.26	125.9	4.62			dMe 0.91
!
!Minor conformational form involving residues 43 - 55
!
!E43*	8.39	119.7	4.28	2.33		g 2.04
!T44*	7.89	116.3				gMe 1.20
!H46*	8.26	121.6	5.04	3.18		tentative: H46 and H46* may be reversed	
!K49*	8.54	123.7	4.26	1.80		g 1.45
!G50*	8.38	112.7	4.02			
!V51*	7.91	120.7	4.14	2.13		gMe 0.93
!E52*	8.50	126.5	4.26	1.95		g 2.28
!K53*	8.16	124	4.25	1.66		g 1.28
!Y54*	7.95	120.4	4.63	3.39, 2.75	d 7.07; e 6.84
!G55*	8.18	112.4	4.13
!
!Minor conformational form involving residues 100 - 103
!
!N100**	7.68	119.6	4.03	1.82,1.44	gN 113.9; gNH2 7.50,6.83
!E101**	8.02	125.8				
!A102**	7.69	128.9	4.20	1.60		
!L103**	7.86	130.6	4.17	1.79		g 1.42
!			
!
! SN-OB NOE & H-BOND RESTRAINTS
! ONLY DATA FOR THE MAJOR CONFORMATIONAL FORM WERE USED
!
! NOE'S
!
! S = 1.8 - 2.9 ? (1.1)
! M = 1.8 - 4.2 ? (2.4)
! W = 1.8 - 5.0 ? (3.2)
!VW = 1.8 - 6.5 ? (4.7)
! PSEUDOATOMS
! METHYLENE B'S + 1A
! METHYLS + 1.5 A
! DEGENERATE METHYLS (VAL, LEU) + 2.4 A
! DEGENERATE AROMATICS (PHE, TYR) + 2.0 A
!
!
! PHI COUPLING CONSTANTS
!
! J > 8.1, PHI = -120 +/- 40
! 5.6 < J < 8.0, PHI = NOT USED
! J < 5.5, PHI = -60 +/- 20
! 
!!!!!STATISTICS:
!!!TOTAL RESTRAINTS = 870 (49 PHI + 813 NOE + 8 H-BOND)                
!!INTRA-RESIDUE NOE 214
!!SHORT-RANGE NOE   334
!!LONG RANGE NOE    265
!!!H-BONDS 8
!
!!!! NOE RESTRAINTS
!
!!!! LONG-RANGE 
!

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image	mrblock_id	pdb_id	bmrb_id	cing	in_recoord	stage	position	type	subsubtype
	27857	2sob	4010	cing	recoord	1-original	3	chemical shift	format 3