NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)
image mrblock_id pdb_id cing stage position program type
11697 1rvs cing 1-original 1 STAR chemical shift 

# EXPERIMENTAL NMR AND DATABASE-DERIVED RESTRAINTS
# USED TO DETERMINE THE STRUCTURE OF TRANSTHYRETIN
# 105-115 IN AMYLOID FIBRILS

# PDB ID CODE: 1RVS
# RCSB ID CODE: RCSB021071  

# AMINO ACID SEQUENCE: YTIAALLSPYS

# CHEMICAL SHIFT ASSIGNMENTS
# FOR DETAILS SEE REF.: JARONIEC,C.P.;MACPHEE,C.E.;ASTROF,N.S.;
# DOBSON,C.M.; GRIFFIN,R.G. PROC. NATL. ACAD. SCI. USA
# 2002, 99:16748-16753.
#Atom	Residue
#shift	Seq	Residue	Atom	Atom	Shift/
#assign	code	Label	Name	Type	ppm
#------------------------------------------------
1	 1	TYR	C 	C	172.0
2	 1	TYR	CA 	C	56.3
3	 1	TYR	CB 	C	36.5
4	 1	TYR	CG 	C	124.5	
5	 1	TYR	CD1 	C	134.5/133.4 
6	 1	TYR	CD2 	C	134.5/133.4 	
7	 1	TYR	CE1 	C	118.7/117.8  
8	 1	TYR	CE2 	C	118.7/117.8 	 
9	 1	TYR	CZ 	C	160.0 	
10	 1	TYR	N 	N	39.2 	
11	 2	THR	C 	C	173.5 	
12	 2	THR	CA 	C	62.6	
13	 2	THR	CB 	C	72.5 	
14	 2	THR	CG2 	C	20.0 	
15	 2	THR	N 	N	117.0 	
16	 3	ILE	C 	C	174.1 	
17	 3	ILE	CA 	C	60.2 	 
18	 3	ILE	CB 	C	41.8 	 
19	 3	ILE	CG1 	C	28.2 
20	 3	ILE	CG2 	C	17.0 	
21	 3	ILE	CD1 	C	14.6 	
22	 3	ILE	N 	N	127.0 	
23	 4	ALA	C 	C	174.5 	 
24	 4	ALA	CA 	C	49.9
25	 4	ALA	CB 	C	22.1 	
26	 4	ALA	N 	N	128.0 	
27	 5	ALA	C 	C	173.3  
28	 5	ALA	CA 	C	50.3 	
29	 5	ALA	CB 	C	22.9 	
30	 5	ALA	N 	N	125.1 	
31	 6	LEU	C 	C	174.2 	 
32	 6	LEU	CA 	C	54.4 	
33	 6	LEU	CB 	C	45.5 	 
34	 6	LEU	CG 	C	29.4 	
35	 6	LEU	CD1 	C	23.9 	 
36	 6	LEU	CD2 	C	28.2 	
37	 6	LEU	N 	N	127.0 	
38	 7	LEU	C 	C	173.9 	 
39	 7	LEU	CA 	C	54.1 	
40	 7	LEU	CB 	C	44.3 	 
41	 7	LEU	CG 	C	29.9 	
42	 7	LEU	CD1 	C	27.7 	 
43	 7	LEU	CD2 	C	25.3 	
44	 7	LEU	N 	N	127.5 	
45	 8	SER	C 	C	173.6 	
46	 8	SER	CA 	C	55.4 	
47	 8	SER	CB 	C	63.2 	
48	 8	SER	N 	N	117.2 	
49	 9	PRO	C 	C	174.8 	 
50	 9	PRO	CA 	C	62.6 	 
51	 9	PRO	CB 	C	32.6 	
52	 9	PRO	CG 	C	28.0 	
53	 9	PRO	CD 	C	49.6 	 
54	 9	PRO	N 	N	135.8 	 
55	 10	TYR	C 	C	173.6 	
56	 10	TYR	CA 	C	57.7 	 	
57	 10	TYR	CB 	C	43.8 	 	 
58	 10	TYR	CG 	C	128.7 		 
59	 10	TYR	CD1 	C	133.6 	 
60	 10	TYR	CD2 	C	133.6 		 
61	 10	TYR	CE1 	C	118.3  	 
62	 10	TYR	CE2 	C	118.3 	 	
63	 10	TYR	CZ 	C	157.4 	 	 
64	 10	TYR	N 	N	127.3 
65	 11	SER	C 	C	N/A 	 	 
66	 11	SER	CA 	C	57.8 	 	 
67	 11	SER	CB 	C	N/A 	 	 
68	 11	SER	N 	N	N/A

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