ID	2K1QA	STANDARD;	PRT;	186	AA.
DT	CONVERTED FROM PDB (SEQRES) 2K1Q
DE	NS3 PROTEASE
OS	Hepatitis C virus
CC	EXPDTA	SOLUTION NMR
CC	RESOLU	NOT APPLICABLE
FT	#SUB	41	  41 	GLN	A	5	 191 	FE3	B	Protein	S	17
FT	#SUB	42	  42 	SER	A	5	 191 	FE3	B	Protein	B	6
FT	#SUB	57	  57 	HIS	A	3	 189 	LEU	B	Protein	S	13
FT	#SUB	57	  57 	HIS	A	4	 190 	OBF	B	Protein	S	2
FT	#SUB	57	  57 	HIS	A	5	 191 	FE3	B	Protein	S	5
FT	#SUB	58	  58 	GLY	A	5	 191 	FE3	B	Protein	B	2
FT	#SUB	109	 109 	ARG	A	5	 191 	FE3	B	Protein	S	1
FT	#SUB	132	 132 	VAL	A	2	 188 	GLU	B	Protein	S	2
FT	#SUB	135	 135 	LEU	A	4	 190 	OBF	B	Protein	A	5
FT	#SUB	136	 136 	LYS	A	2	 188 	GLU	B	Protein	S	1
FT	#SUB	136	 136 	LYS	A	3	 189 	LEU	B	Protein	S	1
FT	#SUB	136	 136 	LYS	A	4	 190 	OBF	B	Protein	A	8
FT	#SUB	136	 136 	LYS	A	5	 191 	FE3	B	Protein	A	9
FT	#SUB	137	 137 	GLY	A	4	 190 	OBF	B	Protein	B	2
FT	#SUB	137	 137 	GLY	A	5	 191 	FE3	B	Protein	B	8
FT	#SUB	138	 138 	SER	A	4	 190 	OBF	B	Protein	B	1
FT	#SUB	139	 139 	SER	A	4	 190 	OBF	B	Protein	A	6
FT	#SUB	139	 139 	SER	A	5	 191 	FE3	B	Protein	S	4
FT	#SUB	154	 154 	PHE	A	4	 190 	OBF	B	Protein	S	4
FT	#SUB	155	 155 	ARG	A	3	 189 	LEU	B	Protein	S	3
FT	#SUB	155	 155 	ARG	A	4	 190 	OBF	B	Protein	B	1
FT	#SUB	156	 156 	ALA	A	2	 188 	GLU	B	Protein	A	5
FT	#SUB	156	 156 	ALA	A	3	 189 	LEU	B	Protein	S	2
FT	#SUB	156	 156 	ALA	A	4	 190 	OBF	B	Protein	B	2
FT	#SUB	157	 157 	ALA	A	1	 187 	IBU	B	Protein	B	2
FT	#SUB	157	 157 	ALA	A	2	 188 	GLU	B	Protein	B	9
FT	#SUB	157	 157 	ALA	A	4	 190 	OBF	B	Protein	A	2
FT	#SUB	159	 159 	CYS	A	1	 187 	IBU	B	Protein	B	1
FT	#SUB	159	 159 	CYS	A	2	 188 	GLU	B	Protein	S	1
FT	#HET	97	  97 	CYS	A	1	301 	ZN	A	A	4
FT	#HET	98	  98 	THR	A	1	301 	ZN	A	B	1
FT	#HET	99	  99 	CYS	A	1	301 	ZN	A	A	3
FT	#HET	145	 145 	CYS	A	1	301 	ZN	A	S	2
FT	DISORDER	1	21
CC	SEQUENCE	165 AA (ATOM);
CC	TGRDKNQVEG EVQVVSTATQ SFLATCVNGV CWTVYHGAGS KTLAGPKGPI TQMYTNVDQD
CC	LVGWQAPPGA RSLTPCTCGS SDLYLVTRHA DVIPVRRRGD SRGSLLSPRP VSYLKGSSGG
CC	PLLCPSGHAV GIFRAAVCTR GVAKAVDFVP VESMETTMRA SKKKK
CC	!----
CC	ALIGNMENT OF SEQRES AND ATOMRES
CC	SEQRES APITAYSQQTRGLLGCIITSLTGRDKNQVEGEVQVVSTATQSFLATCVNG
CC	ATOM   ---------------------TGRDKNQVEGEVQVVSTATQSFLATCVNG
CC	                            *****************************
CC	SEQRES VCWTVYHGAGSKTLAGPKGPITQMYTNVDQDLVGWQAPPGARSLTPCTCG
CC	ATOM   VCWTVYHGAGSKTLAGPKGPITQMYTNVDQDLVGWQAPPGARSLTPCTCG
CC	       **************************************************
CC	SEQRES SSDLYLVTRHADVIPVRRRGDSRGSLLSPRPVSYLKGSSGGPLLCPSGHA
CC	ATOM   SSDLYLVTRHADVIPVRRRGDSRGSLLSPRPVSYLKGSSGGPLLCPSGHA
CC	       **************************************************
CC	SEQRES VGIFRAAVCTRGVAKAVDFVPVESMETTMRASKKKK
CC	ATOM   VGIFRAAVCTRGVAKAVDFVPVESMETTMRASKKKK
CC	       ************************************
SQ	SEQUENCE	186 AA;      MW;         CN;
	APITAYSQQT RGLLGCIITS LTGRDKNQVE GEVQVVSTAT QSFLATCVNG VCWTVYHGAG
	SKTLAGPKGP ITQMYTNVDQ DLVGWQAPPG ARSLTPCTCG SSDLYLVTRH ADVIPVRRRG
	DSRGSLLSPR PVSYLKGSSG GPLLCPSGHA VGIFRAAVCT RGVAKAVDFV PVESMETTMR
	ASKKKK
//
ID	2K1QB	STANDARD;	PRT;	5	AA.
DT	CONVERTED FROM PDB (SEQRES) 2K1Q
DE	PHENETHYLAMIDE
OS	syntetic
CC	EXPDTA	SOLUTION NMR
CC	RESOLU	NOT APPLICABLE
FT	#SUB	1	 187 	IBU	B	157	 157 	ALA	A	Protein	A	2
FT	#SUB	1	 187 	IBU	B	159	 159 	CYS	A	Protein	S	1
FT	#SUB	2	 188 	GLU	B	132	 132 	VAL	A	Protein	S	2
FT	#SUB	2	 188 	GLU	B	136	 136 	LYS	A	Protein	S	1
FT	#SUB	2	 188 	GLU	B	156	 156 	ALA	A	Protein	B	5
FT	#SUB	2	 188 	GLU	B	157	 157 	ALA	A	Protein	A	9
FT	#SUB	2	 188 	GLU	B	159	 159 	CYS	A	Protein	S	1
FT	#SUB	3	 189 	LEU	B	57	  57 	HIS	A	Protein	S	13
FT	#SUB	3	 189 	LEU	B	136	 136 	LYS	A	Protein	B	1
FT	#SUB	3	 189 	LEU	B	155	 155 	ARG	A	Protein	S	3
FT	#SUB	3	 189 	LEU	B	156	 156 	ALA	A	Protein	B	2
FT	#SUB	4	 190 	OBF	B	57	  57 	HIS	A	Protein	B	2
FT	#SUB	4	 190 	OBF	B	135	 135 	LEU	A	Protein	S	5
FT	#SUB	4	 190 	OBF	B	136	 136 	LYS	A	Protein	A	8
FT	#SUB	4	 190 	OBF	B	137	 137 	GLY	A	Protein	B	2
FT	#SUB	4	 190 	OBF	B	138	 138 	SER	A	Protein	B	1
FT	#SUB	4	 190 	OBF	B	139	 139 	SER	A	Protein	A	6
FT	#SUB	4	 190 	OBF	B	154	 154 	PHE	A	Protein	S	4
FT	#SUB	4	 190 	OBF	B	155	 155 	ARG	A	Protein	B	1
FT	#SUB	4	 190 	OBF	B	156	 156 	ALA	A	Protein	S	2
FT	#SUB	4	 190 	OBF	B	157	 157 	ALA	A	Protein	S	2
FT	#SUB	5	 191 	FE3	B	41	  41 	GLN	A	Protein	S	17
FT	#SUB	5	 191 	FE3	B	42	  42 	SER	A	Protein	S	6
FT	#SUB	5	 191 	FE3	B	57	  57 	HIS	A	Protein	A	5
FT	#SUB	5	 191 	FE3	B	58	  58 	GLY	A	Protein	A	2
FT	#SUB	5	 191 	FE3	B	109	 109 	ARG	A	Protein	S	1
FT	#SUB	5	 191 	FE3	B	136	 136 	LYS	A	Protein	S	9
FT	#SUB	5	 191 	FE3	B	137	 137 	GLY	A	Protein	S	8
FT	#SUB	5	 191 	FE3	B	139	 139 	SER	A	Protein	B	4
CC	SEQUENCE	5 AA (ATOM);
CC	XELXX
CC	!----
CC	ALIGNMENT OF SEQRES AND ATOMRES
CC	SEQRES XELXX
CC	ATOM   XELXX
CC	       *****
SQ	SEQUENCE	5 AA;      MW;         CN;
	XELXX
//