*HEADER    ELECTRON TRANSPORT                      09-FEB-06   2FZ5              
*TITLE     SOLUTION STRUCTURE OF TWO-ELECTRON REDUCED MEGASPHAERA                
*TITLE    2 ELSDENII FLAVODOXIN                                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: FLAVODOXIN;                                                
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MEGASPHAERA ELSDENII;                           
*SOURCE   3 ORGANISM_COMMON: BACTERIA                                            
*KEYWDS    ALPHA/BETA DOUBLY-WOUND TOPOLOGY, NON-COVALENTLY BOUND FMN            
*EXPDTA    NMR                                                                   
*AUTHOR    C.P.M.VAN MIERLO, P.LIJNZAAD, J.VERVOORT, F.MUELLER,                  
*AUTHOR   2 H.J.BERENDSEN, J.DE VLIEG  
*REVDAT   2   28-MAR-06 2FZ5    1                                              
*REVDAT   1   14-MAR-06 2FZ5    0  
                                            

Supplementary material:

NOE restraint list of two-electron reduced M. elsdenii flavodoxin as determined from a 150 ms NOESY spectrum (pH 8.3, T=41 0C). Cross peaks resulting from spin diffusion, as judged from a 50 ms NOESY spectrum, were ommitted from this list.
Symbols used: HA=C_H; HB=C_H; HG=C_H; HN=NH; HZ=C4H of Phe; QA=pseudo atom for C_H2 ; QB= pseudo atom for C_H2; QG= pseudo atom for C_H3's or C_H2's, QD= pseudo atom for C_H3's or C_H2's and C_H's of aromatic amino acid residues; QE= pseudo atom for C_H2's and C_H's of aromatic amino acid residues; MG, MD, ME= pseudo atoms for methyl groups at respectively _, _ or _ position of an amino acid residue; HE1=NH_ proton of tryptophan residues; H2, H4, H5 and H6= corresponding protons of indole part of a tryptophan residue; HOB= C2'OH of FMN.

_______________________________________________________________
	Residue	NOE restraint with	upper limit (?)
_______________________________________________________________

1MET
	HA	2	VAL	HN	2.7
	HA	31	VAL	HA	4.2
	QG	31	VAL	HA	4.2
2VAL
	HA	3	GLU	HN	3.3
3GLU
	HN	50	ILE	HA	3.3
4ILE
	HN	33	SER	HA	3.3
	HN	32	GLU	HN	3.3
	HN	3	GLU	HA	3.0
	HA	6	TYR	QD	4.2
	MG	86	PHE	QD	3.3
	MG	86	PHE	QE	3.3
	MG	86	PHE	H4	3.3
	MD	21	GLU	HN	4.0
5VAL
	HN	4	ILE	HA	3.0
	HA	34	VAL	HN	2.7
	HA	6	TYR	HN	2.7
	HA	33	SER	HA	4.2
	HA	36	PHE	HN	4.2
	QG	6	TYR	HN	3.3
	QG	34	VAL	HN	4.0
	QG	36	PHE	HA	3.3
6TYR
	HN	36	PHE	HN	3.3
	HA	53	GLY	HN	3.3
	HA	53	GLY	QA	3.3
	QB	7	TRP	HN	2.7
	QB	53	GLY	HN	3.3
	QB	86	PHE	QD	2.7
	QD	35	ARG	HA	2.7
	QE	35	ARG	HA	2.7
	QE	14	GLU	HA	2.7
	QD	17	ALA	MB	3.3
	QE	17	ALA	MB	3.3
	QD	34	VAL	HN	2.7
	QE	34	VAL	HN	2.7
	QD	13	THR	MG	3.3
	QD	5	VAL	HA	3.3
	QD	4	ILE	MG	3.3
7TRP	
	HN	6	TYR	QD	2.7 
	HN	53	GLY	HN	3.3
	HN	6	TYR	HA	3.0
	HN	36	PHE	QE	4.2
	HE1	66	VAL	MG1	3.3
	HE1	66	VAL	MG2	3.3
	HE1	66	VAL	HB	3.3
	H2	67	VAL	QG	4.0
	H2	66	VAL	QG	4.0
	H2	66	VAL	HB	3.3
	H2	36	PHE	QD	3.3
	H6	9	GLY	QA	3.3
	H5	55	PRO	QD	3.3
	H4	55	PRO	QD	3.3
8SER
	HN	7	TRP	HA	3.0
	HA	9	GLY	HN	2.7 
	QB	6	TYR	QD	3.3
	QB	6	TYR	QE	3.3
9GLY
	HN	7	TRP	H5	4.2
	HN	8	SER	HG	4.2
	HN	55	PRO	QG	4.2
	QA	10	THR	HN	3.3
10THR
	HN	8	SER	HA	4.2
	HN	9	GLY	HN	3.3
11GLY
	HN	10	THR	HN	3.3
12ASN
	HN	11	GLY	HN	3.3
	HN	8	SER	HG	4.2 
13THR
	HN	12	ASN	QB	3.3
	HN	8	SER	HG	3.3
	HN	12	ASN	HN	3.3 
	MG	88	SER	HN	4.0
	MG	86	PHE	QD	4.0 
	MG	54	CYS	HA	4.0
14GLU
	HN	8	SER	QB	3.3
	HN	13	THR	HN	3.3
	HA	6	TYR	QD	3.3
15ALA
	HN	14	GLU	HA	3.3
	HN	14	GLU	HN	3.3
16MET
	HN	17	ALA	HN	3.3
	HN	15	ALA	QB	3.3
	HN	15	ALA	HA	4.2
	HN	13	THR	HA	3.3
	HA	19	GLU	HN	3.3
	QB	17	ALA	HN	2.7
	ME	116	ILE	HA	3.3
	ME	87	GLY	HN	4.0
17ALA
	HN	86	PHE	QD	3.3
	HA	18	ASN	HN	3.3
	MB	18	ASN	HN	3.3
	MB	86	PHE	QD	3.3
18ASN
	HN	17	ALA	HN	3.0
	HA	19	GLU	HN	3.3
	QB	19	GLU	HN	3.3
19GLU
	HN	18	ASN	HN	3.0
	HA	20	ILE	HN	3.3
	QB	20	ILE	HN	3.3
20ILE
	HN	19	GLU	HN	3.3
	HA	23	ALA	HN	3.3
	QG	131	GLY	HN	3.3
	QG	21	GLU	HN	3.3
	MD	127	CYS	HA	3.3
21GLU
	HN	20	ILE	HA	3.3
	HN	20	ILE	HB	2.7
	HN	18	ASN	HA	3.3
	HN	20	ILE	HN	3.3
22ALA
	HN	21	GLU	QB	3.3
	HN	21	GLU	HA	3.3
	HN	21	GLU	HN	3.3
	HN	24	VAL	HN	4.2
	HN	25	LYS	HN	4.2 
	HA	25	LYS	HN	3.3
23ALA
	HN	22	ALA	MB	3.3
	HN	22	ALA	HN	4.2
24VAL
	HN	23	ALA	HA	3.3
	HN	23	ALA	HN	3.3
	HN	21	GLU	HA	3.3
25LYS
	HN	24	VAL	HA	4.2
	HN	24	VAL	QG	4.0
	HN	24	VAL	HN	3.0
27ALA 
	HN	26	ALA	HA	3.3
	HN	26	ALA	HN	3.0
28GLY
	HN	27	ALA	HA	3.3
	HN	27	ALA	HN	3.0
29ALA
	HN	28	GLY	QA	3.3
	HN	25	LYS	HA	3.3
	HN	28	GLY	HN	3.3
	MB	30	ASP	HN	3.3
30ASP
	HN	29	ALA	HA	3.3
31VAL
	HA	32	GLU	HN	2.7
	HA	2	VAL	HN	2.7
32GLU
	HN	3	GLU	HA	2.7
	QB	33	SER	HN	4.2
33SER
	HN	32	GLU	HA	2.7
	HA	34	VAL	HN	2.7
	QB	34	VAL	HN	2.7
34VAL
	-

35ARG
	HN	34	VAL	HA	3.3
	HA	6	TYR	HN	3.3
36PHE
	HN	35	ARG	HA	3.3
	HA	37	GLU	HN	3.3
	QB	37	GLU	HN	3.3
	QD	5	VAL	QG	3.3
	QD	35	ARG	HA	3.3 
	QE	5	VAL	QG	3.3
	QE	53	GLY	HN	3.3 
	QE	7	TRP	QB	4.2
	HZ	5	VAL	QG	4.0
	HZ	52	LEU	HA	3.3
	HZ	53	GLY	HN	3.3
	QD	67	VAL	QG	3.3
	QD	66	VAL	QG	3.3
	QE	67	VAL	QG	3.3
	QE	66	VAL	QG	3.3
	H4	67	VAL	QG	3.3
37GLU
	HN	36	PHE	HN	3.3
	HN	66	VAL	QG	3.3
38ASP
	HN	39	THR	MG	4.0
	HN	37	GLU	HN	3.3
	QB	39	THR	HN	3.3
39THR
	HN	38	ASP	HA	2.7
	HB	40	ASN	HN	3.3
40ASN
	HN	43	ASP	QB	3.3
	HN	44	VAL	QG	4.0
	HN	70	PHE	HZ	3.3
	HN	70	PHE	QD	3.3
	HN	39	THR	HA	2.7
	HN	39	THR	MG	3.3
	HA	39	THR	MG	4.0
	HA	41	VAL	QG	4.0
41VAL
	HN	40	ASN	HA	3.3
	HA	42	ASP	HN	3.3
	HB	42	ASP	HN	4.2
	QG	42	ASP	HN	3.3
42ASP
	-
43ASP
	HN	44	VAL	HB	4.2
	HN	44	VAL	QG	4.0
44VAL
	HN	43	ASP	QB	3.3
	HN	41	VAL	HA	3.3
	HN	43	ASP	HN	3.3
45ALA
	HN	44	VAL	QG	3.3
	HN	44	VAL	HB	3.3
	HN	44	VAL	HN	3.3
46SER
	HN	45	ALA	HN	3.3
47LYS
	HN	45	ALA	HA	4.2
48ASP
	QB	49	VAL	HN	3.3

49VAL
	HA	82	LYS	HN	3.3
50ILE
	HN	83	VAL	HA	2.7
	HN	49	VAL	HA	3.3
	HN	84	GLY	HN	4.2
51LEU
	HN	50	ILE	MG	3.3
	HN	4	ILE	HA	2.7
	HN	50	ILE	HA	3.3
	HA	83	VAL	HA	3.3
	QD	52	LEU	HN	4.0
52LEU
	HN	86	PHE	HN	3.3
	HN	51	LEU	HA	3.3
	HN	85	LEU	QD	3.3
	HA	5	VAL	HN	3.3
53GLY
	HN	52	LEU	QB	2.7
	HN	52	LEU	HA	3.3
	HN	86	PHE	QD	3.3
	QA	100	TRP	H6	3.3
	QA	86	PHE	H4	3.3
54CYS
	HN	13	THR	MG	4.0 
	HN	53	GLY	QA	3.3
	HA	67	VAL	QG	4.0
	HA	55	PRO	QD	2.7
	HG	67	VAL	QG	4.0
	HG	62	LEU	QD	3.3
	HG	63	GLU	HN	3.3
	HG	63	GLU	QB	3.3
	HG	96	TRP	H2	4.2
55PRO
	HA	56	ALA	MB	4.0 
	HA	87	GLY	QA	3.3
	HA	96	TRP	HE1	3.3
	QB	56	ALA	HN	3.3
	QB	88	SER	HN	3.3
56ALA
	HN	55	PRO	HA	2.7
57MET
	HN	56	ALA	HA	3.3
	HA	58	GLY	HN	3.3
58GLY
	HN	57	MET	QB	2.7
	HN	57	MET	QG	2.7
59SER
	HN	58	GLY	QA	3.3
	HA	60	GLU	HN	3.3
60GLU
	-
61GLU
	HN	60	GLU	HA	3.3
	HN	57	MET	HN	3.3
	HN	96	TRP	QB	4.2
62LEU
	HN	61	GLU	QB	3.3
	HA	96	TRP	H2	3.3
	QD	63	GLU	HN	4.0
	QD	96	TRP	HE1	4.0
63GLU
	HN	67	VAL	HB	3.3
	HN	62	LEU	HA	2.7
	QG	7	TRP	H7	3.3
	QG	7	TRP	H6	3.3
64ASP
	HN	63	GLU	HA	3.3
	HN	63	GLU	QG	3.3
	HA	65	SER	HN	3.3
65SER
	HN	64	ASP	HN	3.3
	HA	66	VAL	HN	3.3
66VAL
	HN	68	GLU	HN	3.3
	HN	65	SER	HN	3.3 
	QG	7	TRP	HE1	4.0
67VAL
	HN	66	VAL	HB	2.7
	HN	66	VAL	QG	3.3
	HN	66	VAL	HN	3.3
	HA	68	GLU	HN	3.3
	HA	70	PHE	HN	3.3
	HB	68	GLU	HN	3.3
	QG	66	VAL	HN	4.0
	QG	68	GLU	HN	3.3
68GLU
	HN	64	ASP	HA	3.3
	HN	67	VAL	HN	3.3
69PRO
	QD	68	GLU	HN	3.3
	QD	66	VAL	HN	4.2
70PHE
	HN	72	THR	HN	4.2
	HA	71	PHE	HN	3.3
	QD	40	ASN	HA	3.3
	QD	41	VAL	QG	4.0
	QD	36	PHE	QD	3.3
	QE	40	ASN	HA	3.3
	QE	36	PHE	QE	3.3
	QE	41	VAL	QG	4.0
	HZ	40	ASN	HA	3.3
	HZ	39	THR	MG	3.3
71PHE
	HN	70	PHE	QB	2.7
	HN	67	VAL	QG	3.3
	HN	67	VAL	HA	3.3
	QD	68	GLU	HA	3.3
72THR
	HN	71	PHE	QB	3.3
73ASP
	HN	72	THR	HN	3.3
	HN	74	LEU	HN	3.3
	HN	72	THR	HB	3.3
	HN	72	THR	HA	3.3
74LEU
	HN	41	VAL	QG	4.0
	HN	73	ASP	QB	3.3
	HN	71	PHE	HA	3.3
	HN	75	ALA	HN	3.3
	HA	75	ALA	HN	3.3
	HA	41	VAL	QG	3.3
75ALA
	HN	74	LEU	QB	3.3
	HN	76	PRO	QD	3.3
76PRO
	QD	75	ALA	MB	4.0

77LYS
	HN	78	LEU	HN	3.3
	HA	78	LEU	HN	3.3
78LEU
	HN	79	LYS	HN	3.3
	QD	79	LYS	HN	4.2
79LYS
	HN	78	LEU	HA	3.3
80GLY
	HN	81	LYS	HN	3.3
	HN	79	LYS	HA	2.7
81LYS
	HN	109	ALA	MB	4.0
82LYS
	HN	81	LYS	QB	3.3
	HN	81	LYS	HA	3.3
83VAL
	HN	111	VAL	HA	3.3
	HA	51	LEU	QD	4.0
	HA	50	ILE	HB	3.3
	HA	84	GLY	QA	3.3
	QG	85	LEU	QD	4.0
84GLY
	HN	51	LEU	QD	4.0
	HN	83	VAL	QG	3.3
	HN	51	LEU	HA	2.7 
	QA	113	GLY	HN	3.3
85LEU
	HN	114	THR	HA	2.7
	QB	86	PHE	HN	2.7
	QD	104	THR	HN	3.3
	QD	86	PHE	HN	4.0
	QD	104	THR	HG	4.0
86PHE
	HN	87	GLY	HN	4.2
	HA	115	ALA	HN	3.3
	HA	115	ALA	MB	3.3
	HA	97	MET	ME	3.3
	QB	87	GLY	HN	3.3
	QB	115	ALA	HN	3.3 
	QD	20	ILE	MD	3.3
	QD	51	LEU	QD	2.7
	QE	20	ILE	MD	4.0
	QE	53	GLY	HN	3.3
	QE	17	ALA	MB	4.0
	QE	13	THR	MG	4.0
	HZ	6	TYR	QB	3.3
	HZ	20	ILE	MD	4.0
	HZ	17	ALA	MB	3.3
	HZ	6	TYR	HA	4.2
87GLY
	HN	116	ILE	HA	3.3
	QA	13	THR	MG	3.3
	QA	54	CYS	HN	3.3
	QA	96	TRP	HE1	3.3
	QA	96	TRP	H6	3.3
	QA	96	TRP	H7	3.3
88SER
	HN	55	PRO	HA	3.3
	HA	89	TYR	HN	3.3
	QB	89	TYR	HN	3.3
	HG	12	ASN	QB	3.3
89TYR
	HN	119	GLU	HN	3.3
	HN	117	VAL	HA	4.2
	HA	56	ALA	MB	3.3
	QE	93	SER	HA	3.3
	QE	116	ILE	HB	3.3
	QE	116	ILE	MD	3.3
	QE	116	ILE	QG	2.7
90GLY
	HN	89	TYR	QB	3.3
	HN	89	TYR	QD	2.7
	HN	89	TYR	HA	3.3
91TRP
	HN	90	GLY	HN	3.3
92GLY
	HN	91	TRP	HN	3.3
93SER
94GLY
	HN	96	TRP	H4	3.3
	HN	96	TRP	H5	3.3
	QA	97	MET	HN	3.3
	QA	96	TRP	H4	3.3
95GLU
	HN	94	GLY	QA	3.3
	HA	96	TRP	HN	3.3
96TRP
	HN	95	GLU	QB	3.3
	QB	56	ALA	MB	4.0
	HE1	54	CYS	QB	3.3
	HE1	100	TRP	H4	3.3
	H2	62	LEU	QD	3.3
	H2	62	LEU	HG	3.3
	H2	56	ALA	HA	3.3
	H7	55	PRO	HA	3.3
	H7	97	MET	ME	4.0
	H4	56	ALA	MB	4.0
	H4	97	MET	HN	3.3
	H4	97	MET	QB	3.3
97MET
	HN	96	TRP	HA	3.3
	HN	99	ALA	HN	4.2
	HN	96	TRP	HN	3.3
98ASP
	HN	97	MET	HN	3.3
	QB	99	ALA	HN	3.3
99ALA
	HN	98	ASP	HN	3.3
	HA	100	TRP	HN	3.3
	MB	100	TRP	HN	4.0
100TRP
	HN	99	ALA	HN	3.3
	HA	101	LYS	HN	3.3
	QB	101	LYS	HN	3.3
	HE	85	LEU	QD	4.0
	HE	62	LEU	QD	4.0
	HE	52	LEU	QD	4.0
	H2	104	THR	HO	3.3 
	H2	85	LEU	QD	4.0
	H7	85	LEU	QD	4.0
	H7	52	LEU	QD	4.0
	H7	67	VAL	QG	3.3
	H7	62	LEU	QD	3.3
	H7	86	PHE	HN	3.3
	H7	54	CYS	QB	2.7
	H7	85	LEU	HA	3.3
	H7	52	LEU	QB	2.7
	H6	62	LEU	QD	4.0
	H4	85	LEU	QD	4.0
	H4	62	LEU	QD	3.3
	H4	97	MET	HA	3.3
101LYS
	HN	97	MET	HA	3.3
	HN	85	LEU	QD	4.0
	HN	98	ASP	HA	3.3
	HN	100	TRP	HN	3.3
	HA	85	LEU	QD	3.3
	QB	85	LEU	QD	4.0
102GLN
	HN	101	LYS	HA	3.3
	HN	101	LYS	QB	3.3
	HN	101	LYS	QG	3.3
	HN	101	LYS	HN	3.3
	HA	103	ARG	HN	3.3
	QB	103	ARG	HN	3.3
103ARG
	HN	102	GLN	HN	3.3
	HA	104	THR	HN	3.3
104THR
	HN	101	LYS	HA	3.3
	HN	102	GLN	HN	4.2
	HN	103	ARG	HN	4.2
	HN	105	GLU	QB	3.3
	HG	105	GLU	HN	3.3
	MG	105	GLU	HN	4.0
105GLU
	HN	101	LYS	HA	3.3
	HN	104	THR	HN	3.3
	HN	111	VAL	QG	2.7
106ASP
	HN	105	GLU	HA	3.3
	HN	105	GLU	HN	3.3
107THR
	HN	106	ASP	HN	3.3
	HN	104	THR	HA	4.2
108GLY
	HN	107	THR	HN	3.3
109ALA
	HN	108	GLY	HN	3.3
	HA	110	THR	HN	2.7
	MB	110	THR	HN	4.0
110THR
	HN	111	VAL	QG	4.0
	HA	111	VAL	HN	2.7
111VAL
	HN	110	THR	MG	3.3
	HA	113	GLY	HN	3.3
112ILE
	HN	111	VAL	HA	3.3
113GLY
	HN	112	ILE	MD	4.0
	HN	112	ILE	MG	4.0
	HN	112	ILE	HA	3.3
	HN	111	VAL	QG	4.0
	HN	112	ILE	QG	3.3
	HN	112	ILE	HN	3.3
114THR
	HN	113	GLY	QA	3.3
	HA	115	ALA	MB	4.0
	HA	97	MET	ME	4.0
	HA	84	GLY	QA	4.2
115ALA
	HN	114	THR	HA	3.3
	MB	116	ILE	HN	3.3
116ILE
	HN	115	ALA	HA	2.7
	HA	89	TYR	QE	3.3
	HB	89	TYR	QD	3.3
	HB	96	TRP	H6	3.3
	MG	96	TRP	H5	4.0
	MG	96	TRP	H7	4.0
	MG	89	TYR	QD	4.0
	MG	89	TYR	QE	4.0
	MD	96	TRP	H5	4.0
117VAL
	HN	89	TYR	QD	3.3
	HN	89	TYR	QE	3.3
	HN	88	SER	HA	3.3
	HN	116	ILE	HA	3.3
118ASN
	HN	117	VAL	HA	3.3
	HA	89	TYR	QD	3.3
119GLU
	HN	118	ASN	HA	2.7
	HA	120	MET	HN	3.3
120MET
121PRO
	HA	117	VAL	QG	4.0
	HA	122	ASP	HN	3.3
	HA	124	ALA	MB	5.0
	QD	120	MET	HA	3.3
	QD	122	ASP	HN	4.2
122ASP
	HA	123	ASN	HN	2.7
123ASN
124ALA
	HN	123	ASN	HA	3.0
	MB	117	VAL	QG	4.0
125PRO
	HA	128	LYS	HN	3.3
	HA	129	GLU	HN	4.2
	HA	127	CYS	HN	4.2
	QD	124	ALA	HA	3.3
126GLU
	-
127CYS
	HN	129	GLU	HN	4.2
	HA	130	LEU	HN	4.2
	HA	20	ILE	QG	4.2
	QB	20	ILE	QG	4.2
	QB	20	ILE	HN	3.3

128LYS
	HN	127	CYS	HA	3.3
	HN	127	CYS	QB	3.3
129GLU
	HN	128	LYS	HA	3.3
	HN	128	LYS	QB	3.3
	HN	128	LYS	QG	3.3
	HN	126	GLU	HA	3.3
	HN	128	LYS	HN	3.3
130LEU
	HN	129	GLU	HN	3.3
	HA	131	GLY	HN	3.3

131GLY
	HN	128	LYS	HA	3.3
	HN	20	ILE	MG	4.0
	HN	20	ILE	HA	3.3
	HN	23	ALA	MB	5.0
	HN	130	LEU	HN	3.3
	QA	132	GLU	HN	3.3
132GLU
	HN	23	ALA	MB	4.0 
	HN	131	GLY	HN	3.3
133ALA
	HN	132	GLU	QG	3.3
	HN	132	GLU	QB	3.3
	HN	131	GLY	QA	4.2
	HN	132	GLU	HN	3.3
	HN	134	ALA	HN	3.3
134ALA
	HN	133	ALA	HA	3.3
	HN	136	LYS	HN	4.2
	HN	135	ALA	HN	3.3
135ALA
	HN	24	VAL	HA	3.3
	HN	24	VAL	QG	3.3
	HN	136	LYS	HN	3.3
136LYS
	HN	135	ALA	HA	3.3
	HN	133	ALA	HA	3.3
	HA	137	ALA	HN	3.3
137ALA
	HN	134	ALA	HA	3.3
138FMN
	HOB	56	ALA	HN	3.3
	H6	57	MET	HA	3.3
	H6	58	GLY	HN	2.7
	M7	58	GLY	HN	4.0
	HOB	89	TYR	HA	3.3
	QA	90	GLY	HN	3.3
	H9	138	FMN	HOB	4.2
	H9	138	FMN	QA	3.3

non-nOe's:

60GLU
	HN	138	FMN	H5	4.6


  Entry H atom name         Submitted Coord H atom name
    1   1H    MET   1          1H        MET   1 -14.597 -45.952  16.612
    2   2H    MET   1          2H        MET   1 -14.455 -44.477  15.930
    3   3H    MET   1          3H        MET   1 -13.581 -45.757  15.356
    4    H    VAL   2           H        VAL   2 -11.346 -43.023  16.972
    5    H    GLU   3           H        GLU   3  -7.425 -44.629  16.189
    6    H    ILE   4           H        ILE   4  -5.673 -40.898  17.334
    7    H    VAL   5           H        VAL   5  -2.081 -41.507  15.206
    8    H    TYR   6           H        TYR   6   0.515 -38.860  17.248
    9    HH   TYR   6           HH       TYR   6  -0.931 -34.151  20.434
   10    H    TRP   7           H        TRP   7   3.809 -37.959  14.365
   11    HE1  TRP   7           HE1      TRP   7   9.919 -37.992  17.889
   12    H    SER   8           H        SER   8   5.606 -34.915  16.947
   13    HG   SER   8           HG       SER   8   4.140 -31.834  14.270
   14    H    GLY   9           H        GLY   9   7.551 -32.559  14.145
   15    H    THR  10           H        THR  10   7.826 -29.942  13.532
   16    HG1  THR  10           HG1      THR  10   7.579 -27.894  11.454
   17    H    GLY  11           H        GLY  11   5.858 -28.810  15.699
   18    H    ASN  12           H        ASN  12   4.673 -28.431  12.735
   19   1HD2  ASN  12          1HD2      ASN  12   4.634 -31.806   9.733
   20   2HD2  ASN  12          2HD2      ASN  12   5.850 -32.355  10.866
   21    H    THR  13           H        THR  13   3.584 -31.654  12.126
   22    HG1  THR  13           HG1      THR  13   4.408 -34.480  13.082
   23    H    GLU  14           H        GLU  14   1.865 -31.467  14.450
   24    H    ALA  15           H        ALA  15  -0.031 -29.423  14.053
   25    H    MET  16           H        MET  16  -1.004 -30.563  11.590
   26    H    ALA  17           H        ALA  17  -2.106 -33.165  12.662
   27    H    ASN  18           H        ASN  18  -4.089 -31.735  14.345
   28   1HD2  ASN  18          1HD2      ASN  18  -5.982 -31.409  17.308
   29   2HD2  ASN  18          2HD2      ASN  18  -4.555 -30.977  18.205
   30    H    GLU  19           H        GLU  19  -5.788 -30.698  12.191
   31    H    ILE  20           H        ILE  20  -6.717 -33.085  10.918
   32    H    GLU  21           H        GLU  21  -7.937 -34.212  13.371
   33    H    ALA  22           H        ALA  22 -10.175 -32.147  13.590
   34    H    ALA  23           H        ALA  23 -11.672 -32.946  11.280
   35    H    VAL  24           H        VAL  24 -12.334 -35.421  12.106
   36    H    LYS  25           H        LYS  25 -13.807 -34.946  14.417
   37   1HZ   LYS  25          1HZ       LYS  25 -11.072 -32.406  19.918
   38   2HZ   LYS  25          2HZ       LYS  25 -11.558 -31.492  18.652
   39   3HZ   LYS  25          3HZ       LYS  25 -12.574 -31.761  19.917
   40    H    ALA  26           H        ALA  26 -15.968 -33.511  13.161
   41    H    ALA  27           H        ALA  27 -17.468 -35.868  12.202
   42    H    GLY  28           H        GLY  28 -19.178 -36.173  14.351
   43    H    ALA  29           H        ALA  29 -17.182 -38.299  15.075
   44    H    ASP  30           H        ASP  30 -16.038 -41.688  17.765
   45    H    VAL  31           H        VAL  31 -12.683 -39.219  19.604
   46    H    GLU  32           H        GLU  32  -8.704 -40.896  18.743
   47    H    SER  33           H        SER  33  -6.691 -38.075  20.705
   48    HG   SER  33           HG       SER  33  -5.453 -35.866  20.366
   49    H    VAL  34           H        VAL  34  -2.623 -39.066  19.304
   50    H    ARG  35           H        ARG  35   0.785 -38.601  21.966
   51    HE   ARG  35           HE       ARG  35   3.490 -35.479  20.031
   52   1HH1  ARG  35          1HH1      ARG  35   6.605 -35.330  19.824
   53   2HH1  ARG  35          2HH1      ARG  35   6.675 -33.707  19.185
   54   1HH2  ARG  35          1HH2      ARG  35   3.446 -32.948  20.135
   55   2HH2  ARG  35          2HH2      ARG  35   4.886 -32.392  19.332
   56    H    PHE  36           H        PHE  36   3.408 -39.780  18.470
   57    H    GLU  37           H        GLU  37   5.624 -40.107  20.732
   58    H    ASP  38           H        ASP  38   3.804 -41.261  22.646
   59    H    THR  39           H        THR  39   3.363 -44.297  23.604
   60    HG1  THR  39           HG1      THR  39  -0.733 -45.045  20.639
   61    H    ASN  40           H        ASN  40   0.530 -47.071  22.085
   62   1HD2  ASN  40          1HD2      ASN  40   3.639 -50.027  25.112
   63   2HD2  ASN  40          2HD2      ASN  40   3.328 -51.743  25.092
   64    H    VAL  41           H        VAL  41   2.058 -50.872  21.496
   65    H    ASP  42           H        ASP  42  -0.135 -52.210  23.073
   66    H    ASP  43           H        ASP  43  -1.970 -50.086  23.118
   67    H    VAL  44           H        VAL  44  -2.674 -49.467  20.856
   68    H    ALA  45           H        ALA  45  -4.013 -51.841  20.106
   69    H    SER  46           H        SER  46  -6.803 -51.105  21.089
   70    HG   SER  46           HG       SER  46 -10.767 -50.011  21.812
   71    H    LYS  47           H        LYS  47  -7.819 -50.063  18.830
   72   1HZ   LYS  47          1HZ       LYS  47  -6.640 -46.613  22.500
   73   2HZ   LYS  47          2HZ       LYS  47  -7.750 -45.646  23.201
   74   3HZ   LYS  47          3HZ       LYS  47  -8.067 -47.243  22.984
   75    H    ASP  48           H        ASP  48 -11.181 -49.209  16.396
   76    H    VAL  49           H        VAL  49  -9.954 -47.573  14.507
   77    H    ILE  50           H        ILE  50  -6.583 -46.790  11.959
   78    H    LEU  51           H        LEU  51  -4.420 -43.386  13.710
   79    H    LEU  52           H        LEU  52  -1.487 -42.563  10.477
   80    H    GLY  53           H        GLY  53   1.419 -40.373  12.982
   81    H    CYS  54           H        CYS  54   3.417 -38.655   9.669
   82    HG   CYS  54           HG       CYS  54   7.964 -39.342   9.106
   83    H    ALA  56           H        ALA  56   8.181 -35.019   6.260
   84    H    MET  57           H        MET  57  11.698 -37.704   6.618
   85    H    GLY  58           H        GLY  58  15.680 -35.879   7.627
   86    H    SER  59           H        SER  59  17.288 -38.564   4.390
   87    HG   SER  59           HG       SER  59  17.934 -39.799   1.837
   88    H    GLU  60           H        GLU  60  14.554 -36.984   2.506
   89    H    GLU  61           H        GLU  61  13.284 -38.933   4.449
   90    H    LEU  62           H        LEU  62  11.400 -42.545   6.284
   91    H    GLU  63           H        GLU  63   9.918 -40.791  10.247
   92    H    ASP  64           H        ASP  64  13.862 -41.382  11.336
   93    H    SER  65           H        SER  65  14.433 -41.671  14.561
   94    HG   SER  65           HG       SER  65  15.032 -39.923  17.196
   95    H    VAL  66           H        VAL  66  11.943 -42.388  15.624
   96    H    VAL  67           H        VAL  67   9.745 -42.367  14.926
   97    H    GLU  68           H        GLU  68  10.772 -44.906  13.737
   98    H    PHE  70           H        PHE  70   8.682 -46.639  16.889
   99    H    PHE  71           H        PHE  71   7.111 -47.601  14.823
  100    H    THR  72           H        THR  72   8.389 -50.490  14.785
  101    HG1  THR  72           HG1      THR  72  10.713 -51.907  16.559
  102    H    ASP  73           H        ASP  73   7.550 -51.604  17.177
  103    H    LEU  74           H        LEU  74   4.751 -51.232  16.536
  104    H    ALA  75           H        ALA  75   4.342 -53.043  14.454
  105    H    LYS  77           H        LYS  77   0.596 -55.563  16.013
  106   1HZ   LYS  77          1HZ       LYS  77  -3.580 -57.959  21.222
  107   2HZ   LYS  77          2HZ       LYS  77  -2.306 -57.340  22.073
  108   3HZ   LYS  77          3HZ       LYS  77  -3.293 -56.347  21.191
  109    H    LEU  78           H        LEU  78  -0.316 -55.394  13.471
  110    H    LYS  79           H        LYS  79  -3.457 -55.625  12.508
  111   1HZ   LYS  79          1HZ       LYS  79   0.581 -59.098  11.281
  112   2HZ   LYS  79          2HZ       LYS  79   0.315 -59.720  12.772
  113   3HZ   LYS  79          3HZ       LYS  79   1.327 -60.489  11.713
  114    H    GLY  80           H        GLY  80  -5.042 -56.377   8.554
  115    H    LYS  81           H        LYS  81  -6.502 -54.470  10.911
  116   1HZ   LYS  81          1HZ       LYS  81  -5.993 -54.029  16.878
  117   2HZ   LYS  81          2HZ       LYS  81  -6.812 -52.691  16.393
  118   3HZ   LYS  81          3HZ       LYS  81  -7.446 -54.188  16.147
  119    H    LYS  82           H        LYS  82  -8.356 -50.321  10.471
  120   1HZ   LYS  82          1HZ       LYS  82 -13.203 -50.691   6.364
  121   2HZ   LYS  82          2HZ       LYS  82 -12.778 -49.290   7.112
  122   3HZ   LYS  82          3HZ       LYS  82 -12.668 -49.433   5.490
  123    H    VAL  83           H        VAL  83  -5.423 -48.608   7.771
  124    H    GLY  84           H        GLY  84  -4.753 -44.688   9.303
  125    H    LEU  85           H        LEU  85  -2.721 -42.419   5.897
  126    H    PHE  86           H        PHE  86   0.029 -40.092   8.345
  127    H    GLY  87           H        GLY  87   1.104 -36.738   5.816
  128    H    SER  88           H        SER  88   4.385 -34.413   7.490
  129    HG   SER  88           HG       SER  88   3.028 -30.971   7.794
  130    H    TYR  89           H        TYR  89   5.113 -31.923   3.819
  131    HH   TYR  89           HH       TYR  89   3.210 -30.912  -1.713
  132    H    GLY  90           H        GLY  90   9.486 -31.304   3.103
  133    H    TRP  91           H        TRP  91  11.174 -30.486   1.330
  134    HE1  TRP  91           HE1      TRP  91  15.758 -32.372   0.599
  135    H    GLY  92           H        GLY  92  10.262 -32.295  -0.123
  136    H    SER  93           H        SER  93   8.750 -34.580  -3.233
  137    HG   SER  93           HG       SER  93   4.244 -34.330  -2.115
  138    H    GLY  94           H        GLY  94   5.933 -37.189  -1.002
  139    H    GLU  95           H        GLU  95   8.616 -39.403  -2.452
  140    H    TRP  96           H        TRP  96   9.374 -40.109   0.710
  141    HE1  TRP  96           HE1      TRP  96   6.479 -38.747   6.468
  142    H    MET  97           H        MET  97   6.625 -40.716   1.310
  143    H    ASP  98           H        ASP  98   5.969 -42.659  -0.269
  144    H    ALA  99           H        ALA  99   7.658 -44.796   0.613
  145    H    TRP 100           H        TRP 100   6.774 -44.996   3.177
  146    HE1  TRP 100           HE1      TRP 100   3.291 -44.810   9.061
  147    H    LYS 101           H        LYS 101   3.883 -45.608   2.642
  148   1HZ   LYS 101          1HZ       LYS 101  -2.014 -45.075  -1.230
  149   2HZ   LYS 101          2HZ       LYS 101  -1.030 -45.675  -2.373
  150   3HZ   LYS 101          3HZ       LYS 101  -2.523 -46.338  -2.139
  151    H    GLN 102           H        GLN 102   4.387 -48.206   1.354
  152   1HE2  GLN 102          1HE2      GLN 102   7.003 -53.228   1.840
  153   2HE2  GLN 102          2HE2      GLN 102   8.518 -52.601   2.447
  154    H    ARG 103           H        ARG 103   5.697 -49.784   3.676
  155    HE   ARG 103           HE       ARG 103   8.121 -48.835   4.782
  156   1HH1  ARG 103          1HH1      ARG 103   9.869 -48.135   7.699
  157   2HH1  ARG 103          2HH1      ARG 103  11.400 -47.885   6.901
  158   1HH2  ARG 103          1HH2      ARG 103  10.147 -48.611   3.746
  159   2HH2  ARG 103          2HH2      ARG 103  11.528 -48.118   4.673
  160    H    THR 104           H        THR 104   3.193 -49.730   5.189
  161    HG1  THR 104           HG1      THR 104   2.166 -47.842   5.541
  162    H    GLU 105           H        GLU 105   1.028 -50.525   4.277
  163    H    ASP 106           H        ASP 106   2.351 -53.137   3.970
  164    H    THR 107           H        THR 107   1.903 -54.486   6.622
  165    HG1  THR 107           HG1      THR 107   0.012 -54.445   9.343
  166    H    GLY 108           H        GLY 108  -0.123 -56.328   5.895
  167    H    ALA 109           H        ALA 109  -1.696 -54.629   6.592
  168    H    THR 110           H        THR 110  -5.348 -52.002   6.829
  169    HG1  THR 110           HG1      THR 110  -7.739 -51.496   2.619
  170    H    VAL 111           H        VAL 111  -4.924 -49.627   3.120
  171    H    ILE 112           H        ILE 112  -5.768 -46.361   5.754
  172    H    GLY 113           H        GLY 113  -5.896 -44.717   3.094
  173    H    THR 114           H        THR 114  -4.169 -41.232   1.472
  174    HG1  THR 114           HG1      THR 114  -2.056 -40.280  -0.045
  175    H    ALA 115           H        ALA 115  -1.911 -38.958   4.280
  176    H    ILE 116           H        ILE 116  -1.087 -35.776   1.542
  177    H    VAL 117           H        VAL 117   1.951 -33.360   3.566
  178    H    ASN 118           H        ASN 118   1.696 -29.438   1.526
  179   1HD2  ASN 118          1HD2      ASN 118   4.772 -27.736  -0.421
  180   2HD2  ASN 118          2HD2      ASN 118   4.180 -28.807  -1.729
  181    H    GLU 119           H        GLU 119   5.057 -29.147   3.796
  182    H    MET 120           H        MET 120   2.792 -26.349   5.196
  183    H    ASP 122           H        ASP 122  -4.316 -28.210   6.323
  184    H    ASN 123           H        ASN 123  -2.847 -26.099   4.042
  185   1HD2  ASN 123          1HD2      ASN 123   0.567 -25.058   2.889
  186   2HD2  ASN 123          2HD2      ASN 123   0.057 -23.377   3.112
  187    H    ALA 124           H        ALA 124  -3.754 -28.529   2.745
  188    H    GLU 126           H        GLU 126  -6.185 -32.705   0.754
  189    H    CYS 127           H        CYS 127  -5.535 -32.897   3.953
  190    HG   CYS 127           HG       CYS 127  -3.233 -32.980   6.276
  191    H    LYS 128           H        LYS 128  -8.090 -32.434   5.100
  192   1HZ   LYS 128          1HZ       LYS 128 -11.118 -27.523   4.239
  193   2HZ   LYS 128          2HZ       LYS 128 -10.319 -26.412   5.123
  194   3HZ   LYS 128          3HZ       LYS 128  -9.529 -27.253   3.937
  195    H    GLU 129           H        GLU 129  -9.518 -34.210   3.737
  196    H    LEU 130           H        LEU 130  -8.254 -36.752   4.720
  197    H    GLY 131           H        GLY 131  -9.304 -36.403   7.404
  198    H    GLU 132           H        GLU 132 -12.245 -36.595   6.996
  199    H    ALA 133           H        ALA 133 -12.200 -39.286   5.781
  200    H    ALA 134           H        ALA 134 -11.066 -40.708   8.129
  201    H    ALA 135           H        ALA 135 -13.202 -40.173  10.064
  202    H    LYS 136           H        LYS 136 -15.038 -41.891   8.613
  203   1HZ   LYS 136          1HZ       LYS 136 -19.045 -38.710   5.084
  204   2HZ   LYS 136          2HZ       LYS 136 -18.286 -38.906   6.527
  205   3HZ   LYS 136          3HZ       LYS 136 -17.501 -39.284   5.132
  206    H    ALA 137           H        ALA 137 -14.350 -44.289  10.043
  207    H4*  FNR 138           H4*      FNR 138   7.376 -28.709   7.768
  208    H1   FNR 138           H1       FNR 138  10.424 -29.780  11.396
  209    H3*  FNR 138           H3*      FNR 138   9.338 -28.039   7.085
  210    H2*  FNR 138           H2*      FNR 138  10.224 -33.074   6.228
  211    H5   FNR 138           H5       FNR 138  15.175 -34.223   5.180
  212    H3   FNR 138           H3       FNR 138  12.192 -34.484   1.504