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5XOR

1H, 13C, and 15N NMR Assignment of the Rep Protein Nuclease Domain from the Porcine Circovirus PCV2

Authors

Vega, S., Campos-Olivas, R.

Assembly

PCV2

Entity

1. PCV2 (polymer, Thiol state: all free), 115 monomers, 13251.79 Da Detail

PSKKNGRSGP QPHKRWVFTL NNPSEDERKK IRDLPISLFD YFIVGEEGNE EGRTPHLQGF ANFVKKQTFN KVKWYLGARC HIEKAKGTDQ QNKEYCSKEG NLLMECGAPR SQGQR

Formula weight

13251.79 Da

Source organism

Porcine circovirus

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.3 %, Completeness: 91.2 %, Completeness (bb): 95.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.2 % (1275 of 1398)	89.6 % (670 of 748)	92.6 % (486 of 525)	95.2 % (119 of 125)
Backbone	95.4 % (645 of 676)	94.0 % (220 of 234)	96.4 % (322 of 334)	95.4 % (103 of 108)
Sidechain	88.4 % (730 of 826)	87.5 % (450 of 514)	89.5 % (264 of 295)	94.1 % (16 of 17)
Aromatic	69.2 % (83 of 120)	70.0 % (42 of 60)	67.2 % (39 of 58)	100.0 % (2 of 2)
Methyl	97.4 % (74 of 76)	94.7 % (36 of 38)	100.0 % (38 of 38)

1. N-terminal DNA binding domain of Rep protein from the circovirus PCV2

PSKKNGRSGP QPHKRWVFTL NNPSEDERKK IRDLPISLFD YFIVGEEGNE EGRTPHLQGF ANFVKKQTFN KVKWYLGARC HIEKAKGTDQ QNKEYCSKEG NLLMECGAPR SQGQR

Show sample condition

Sample #1

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
1	Rep PCV2 2-116	[U-10% 13C; U-15N]	0.8 M
2	Sodium phosphate		20 mM
3	NaCl		100 mM
4	DTT		1 mM
5	D2O		8 %

Sample #2

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
11	Rep PCV2 2-116	[U-13C; U-15N]	0.8 M
12	Sodium phosphate		20 mM
13	NaCl		100 mM
14	DTT		1 mM
15	D2O		8 %

Sample #3

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
16	Rep PCV2 2-116	[U-13C; U-15N]	0.8 M
17	Sodium phosphate		20 mM
18	NaCl		100 mM
19	DTT		1 mM
20	D2O		100 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.48 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.48 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.02 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.01 ppm, Outliers: 4 Detail

Release date

2006-05-01

Citation

1H, 13C, and 15N NMR assignment of the Rep protein nuclease domain from the porcine circovirus PCV2
Rocha, S.V., Campos-Olivas, R.
J. Biomol. NMR (2006), 36 Suppl 1, 25-25, PubMed 16636755 , DOI 10.1007/s10858-006-0009-7 , Abstract

Related entities 1. PCV2, : 1 : 1 : 1 : 11 entities Detail

Experiments performed 17 experiments Detail

1 2D_1H15N_HSQC

Instrument

#1 Model Bruker AMX Avance (600 MHz)

#2 Model Bruker AMX Avance (700 MHz)

Sample #1

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
1	Rep PCV2 2-116	[U-10% 13C; U-15N]	0.8 M
2	Sodium phosphate		20 mM
3	NaCl		100 mM
4	DTT		1 mM
5	D2O		8 %

Sample #2

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
6	Rep PCV2 2-116	[U-10% 13C; U-15N]	0.8 M
7	Sodium phosphate		20 mM
8	NaCl		100 mM
9	DTT		1 mM
10	D2O		100 %

Sample #3

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
11	Rep PCV2 2-116	[U-13C; U-15N]	0.8 M
12	Sodium phosphate		20 mM
13	NaCl		100 mM
14	DTT		1 mM
15	D2O		8 %

Sample #4

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
16	Rep PCV2 2-116	[U-13C; U-15N]	0.8 M
17	Sodium phosphate		20 mM
18	NaCl		100 mM
19	DTT		1 mM
20	D2O		100 %

2 2D_1H15N_HSQC_long_range

Instrument

#1 Model Bruker AMX Avance (600 MHz)

#2 Model Bruker AMX Avance (700 MHz)

Sample #1

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
1	Rep PCV2 2-116	[U-10% 13C; U-15N]	0.8 M
2	Sodium phosphate		20 mM
3	NaCl		100 mM
4	DTT		1 mM
5	D2O		8 %

Sample #2

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
6	Rep PCV2 2-116	[U-10% 13C; U-15N]	0.8 M
7	Sodium phosphate		20 mM
8	NaCl		100 mM
9	DTT		1 mM
10	D2O		100 %

Sample #3

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
11	Rep PCV2 2-116	[U-13C; U-15N]	0.8 M
12	Sodium phosphate		20 mM
13	NaCl		100 mM
14	DTT		1 mM
15	D2O		8 %

Sample #4

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
16	Rep PCV2 2-116	[U-13C; U-15N]	0.8 M
17	Sodium phosphate		20 mM
18	NaCl		100 mM
19	DTT		1 mM
20	D2O		100 %

3 2D_1H13C_HSQC/HMQC

Instrument

#1 Model Bruker AMX Avance (600 MHz)

#2 Model Bruker AMX Avance (700 MHz)

Sample #1

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
1	Rep PCV2 2-116	[U-10% 13C; U-15N]	0.8 M
2	Sodium phosphate		20 mM
3	NaCl		100 mM
4	DTT		1 mM
5	D2O		8 %

Sample #2

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
6	Rep PCV2 2-116	[U-10% 13C; U-15N]	0.8 M
7	Sodium phosphate		20 mM
8	NaCl		100 mM
9	DTT		1 mM
10	D2O		100 %

Sample #3

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
11	Rep PCV2 2-116	[U-13C; U-15N]	0.8 M
12	Sodium phosphate		20 mM
13	NaCl		100 mM
14	DTT		1 mM
15	D2O		8 %

Sample #4

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
16	Rep PCV2 2-116	[U-13C; U-15N]	0.8 M
17	Sodium phosphate		20 mM
18	NaCl		100 mM
19	DTT		1 mM
20	D2O		100 %

4 2D_HNCOCG_arom

Instrument

#1 Model Bruker AMX Avance (600 MHz)

#2 Model Bruker AMX Avance (700 MHz)

Sample #1

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
1	Rep PCV2 2-116	[U-10% 13C; U-15N]	0.8 M
2	Sodium phosphate		20 mM
3	NaCl		100 mM
4	DTT		1 mM
5	D2O		8 %

Sample #2

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
6	Rep PCV2 2-116	[U-10% 13C; U-15N]	0.8 M
7	Sodium phosphate		20 mM
8	NaCl		100 mM
9	DTT		1 mM
10	D2O		100 %

Sample #3

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
11	Rep PCV2 2-116	[U-13C; U-15N]	0.8 M
12	Sodium phosphate		20 mM
13	NaCl		100 mM
14	DTT		1 mM
15	D2O		8 %

Sample #4

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
16	Rep PCV2 2-116	[U-13C; U-15N]	0.8 M
17	Sodium phosphate		20 mM
18	NaCl		100 mM
19	DTT		1 mM
20	D2O		100 %

5 2D_HNCO_arom

Instrument

#1 Model Bruker AMX Avance (600 MHz)

#2 Model Bruker AMX Avance (700 MHz)

Sample #1

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
1	Rep PCV2 2-116	[U-10% 13C; U-15N]	0.8 M
2	Sodium phosphate		20 mM
3	NaCl		100 mM
4	DTT		1 mM
5	D2O		8 %

Sample #2

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
6	Rep PCV2 2-116	[U-10% 13C; U-15N]	0.8 M
7	Sodium phosphate		20 mM
8	NaCl		100 mM
9	DTT		1 mM
10	D2O		100 %

Sample #3

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
11	Rep PCV2 2-116	[U-13C; U-15N]	0.8 M
12	Sodium phosphate		20 mM
13	NaCl		100 mM
14	DTT		1 mM
15	D2O		8 %

Sample #4

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
16	Rep PCV2 2-116	[U-13C; U-15N]	0.8 M
17	Sodium phosphate		20 mM
18	NaCl		100 mM
19	DTT		1 mM
20	D2O		100 %

6 3D_HNCO

Instrument

#1 Model Bruker AMX Avance (600 MHz)

#2 Model Bruker AMX Avance (700 MHz)

Sample #1

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
1	Rep PCV2 2-116	[U-10% 13C; U-15N]	0.8 M
2	Sodium phosphate		20 mM
3	NaCl		100 mM
4	DTT		1 mM
5	D2O		8 %

Sample #2

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
6	Rep PCV2 2-116	[U-10% 13C; U-15N]	0.8 M
7	Sodium phosphate		20 mM
8	NaCl		100 mM
9	DTT		1 mM
10	D2O		100 %

Sample #3

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
11	Rep PCV2 2-116	[U-13C; U-15N]	0.8 M
12	Sodium phosphate		20 mM
13	NaCl		100 mM
14	DTT		1 mM
15	D2O		8 %

Sample #4

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
16	Rep PCV2 2-116	[U-13C; U-15N]	0.8 M
17	Sodium phosphate		20 mM
18	NaCl		100 mM
19	DTT		1 mM
20	D2O		100 %

7 3D_HNCACB

Instrument

#1 Model Bruker AMX Avance (600 MHz)

#2 Model Bruker AMX Avance (700 MHz)

Sample #1

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
1	Rep PCV2 2-116	[U-10% 13C; U-15N]	0.8 M
2	Sodium phosphate		20 mM
3	NaCl		100 mM
4	DTT		1 mM
5	D2O		8 %

Sample #2

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
6	Rep PCV2 2-116	[U-10% 13C; U-15N]	0.8 M
7	Sodium phosphate		20 mM
8	NaCl		100 mM
9	DTT		1 mM
10	D2O		100 %

Sample #3

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
11	Rep PCV2 2-116	[U-13C; U-15N]	0.8 M
12	Sodium phosphate		20 mM
13	NaCl		100 mM
14	DTT		1 mM
15	D2O		8 %

Sample #4

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
16	Rep PCV2 2-116	[U-13C; U-15N]	0.8 M
17	Sodium phosphate		20 mM
18	NaCl		100 mM
19	DTT		1 mM
20	D2O		100 %

8 3D_CBCA_(CO)_NH

Instrument

#1 Model Bruker AMX Avance (600 MHz)

#2 Model Bruker AMX Avance (700 MHz)

Sample #1

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
1	Rep PCV2 2-116	[U-10% 13C; U-15N]	0.8 M
2	Sodium phosphate		20 mM
3	NaCl		100 mM
4	DTT		1 mM
5	D2O		8 %

Sample #2

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
6	Rep PCV2 2-116	[U-10% 13C; U-15N]	0.8 M
7	Sodium phosphate		20 mM
8	NaCl		100 mM
9	DTT		1 mM
10	D2O		100 %

Sample #3

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
11	Rep PCV2 2-116	[U-13C; U-15N]	0.8 M
12	Sodium phosphate		20 mM
13	NaCl		100 mM
14	DTT		1 mM
15	D2O		8 %

Sample #4

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
16	Rep PCV2 2-116	[U-13C; U-15N]	0.8 M
17	Sodium phosphate		20 mM
18	NaCl		100 mM
19	DTT		1 mM
20	D2O		100 %

9 3D_HNHA

Instrument

#1 Model Bruker AMX Avance (600 MHz)

#2 Model Bruker AMX Avance (700 MHz)

Sample #1

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
1	Rep PCV2 2-116	[U-10% 13C; U-15N]	0.8 M
2	Sodium phosphate		20 mM
3	NaCl		100 mM
4	DTT		1 mM
5	D2O		8 %

Sample #2

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
6	Rep PCV2 2-116	[U-10% 13C; U-15N]	0.8 M
7	Sodium phosphate		20 mM
8	NaCl		100 mM
9	DTT		1 mM
10	D2O		100 %

Sample #3

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
11	Rep PCV2 2-116	[U-13C; U-15N]	0.8 M
12	Sodium phosphate		20 mM
13	NaCl		100 mM
14	DTT		1 mM
15	D2O		8 %

Sample #4

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
16	Rep PCV2 2-116	[U-13C; U-15N]	0.8 M
17	Sodium phosphate		20 mM
18	NaCl		100 mM
19	DTT		1 mM
20	D2O		100 %

10 3D_HNHB

Instrument

#1 Model Bruker AMX Avance (600 MHz)

#2 Model Bruker AMX Avance (700 MHz)

Sample #1

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
1	Rep PCV2 2-116	[U-10% 13C; U-15N]	0.8 M
2	Sodium phosphate		20 mM
3	NaCl		100 mM
4	DTT		1 mM
5	D2O		8 %

Sample #2

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
6	Rep PCV2 2-116	[U-10% 13C; U-15N]	0.8 M
7	Sodium phosphate		20 mM
8	NaCl		100 mM
9	DTT		1 mM
10	D2O		100 %

Sample #3

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
11	Rep PCV2 2-116	[U-13C; U-15N]	0.8 M
12	Sodium phosphate		20 mM
13	NaCl		100 mM
14	DTT		1 mM
15	D2O		8 %

Sample #4

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
16	Rep PCV2 2-116	[U-13C; U-15N]	0.8 M
17	Sodium phosphate		20 mM
18	NaCl		100 mM
19	DTT		1 mM
20	D2O		100 %

11 3D_15N_edited_NOESY

Instrument

#1 Model Bruker AMX Avance (600 MHz)

#2 Model Bruker AMX Avance (700 MHz)

Sample #1

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
1	Rep PCV2 2-116	[U-10% 13C; U-15N]	0.8 M
2	Sodium phosphate		20 mM
3	NaCl		100 mM
4	DTT		1 mM
5	D2O		8 %

Sample #2

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
6	Rep PCV2 2-116	[U-10% 13C; U-15N]	0.8 M
7	Sodium phosphate		20 mM
8	NaCl		100 mM
9	DTT		1 mM
10	D2O		100 %

Sample #3

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
11	Rep PCV2 2-116	[U-13C; U-15N]	0.8 M
12	Sodium phosphate		20 mM
13	NaCl		100 mM
14	DTT		1 mM
15	D2O		8 %

Sample #4

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
16	Rep PCV2 2-116	[U-13C; U-15N]	0.8 M
17	Sodium phosphate		20 mM
18	NaCl		100 mM
19	DTT		1 mM
20	D2O		100 %

12 4D_15N,_13C_NOESY

Instrument

#1 Model Bruker AMX Avance (600 MHz)

#2 Model Bruker AMX Avance (700 MHz)

Sample #1

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
1	Rep PCV2 2-116	[U-10% 13C; U-15N]	0.8 M
2	Sodium phosphate		20 mM
3	NaCl		100 mM
4	DTT		1 mM
5	D2O		8 %

Sample #2

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
6	Rep PCV2 2-116	[U-10% 13C; U-15N]	0.8 M
7	Sodium phosphate		20 mM
8	NaCl		100 mM
9	DTT		1 mM
10	D2O		100 %

Sample #3

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
11	Rep PCV2 2-116	[U-13C; U-15N]	0.8 M
12	Sodium phosphate		20 mM
13	NaCl		100 mM
14	DTT		1 mM
15	D2O		8 %

Sample #4

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
16	Rep PCV2 2-116	[U-13C; U-15N]	0.8 M
17	Sodium phosphate		20 mM
18	NaCl		100 mM
19	DTT		1 mM
20	D2O		100 %

13 4D_13C,_13C_NOESY

Instrument

#1 Model Bruker AMX Avance (600 MHz)

#2 Model Bruker AMX Avance (700 MHz)

Sample #1

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
1	Rep PCV2 2-116	[U-10% 13C; U-15N]	0.8 M
2	Sodium phosphate		20 mM
3	NaCl		100 mM
4	DTT		1 mM
5	D2O		8 %

Sample #2

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
6	Rep PCV2 2-116	[U-10% 13C; U-15N]	0.8 M
7	Sodium phosphate		20 mM
8	NaCl		100 mM
9	DTT		1 mM
10	D2O		100 %

Sample #3

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
11	Rep PCV2 2-116	[U-13C; U-15N]	0.8 M
12	Sodium phosphate		20 mM
13	NaCl		100 mM
14	DTT		1 mM
15	D2O		8 %

Sample #4

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
16	Rep PCV2 2-116	[U-13C; U-15N]	0.8 M
17	Sodium phosphate		20 mM
18	NaCl		100 mM
19	DTT		1 mM
20	D2O		100 %

14 3D_HCACO

Instrument

#1 Model Bruker AMX Avance (600 MHz)

#2 Model Bruker AMX Avance (700 MHz)

Sample #1

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
1	Rep PCV2 2-116	[U-10% 13C; U-15N]	0.8 M
2	Sodium phosphate		20 mM
3	NaCl		100 mM
4	DTT		1 mM
5	D2O		8 %

Sample #2

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
6	Rep PCV2 2-116	[U-10% 13C; U-15N]	0.8 M
7	Sodium phosphate		20 mM
8	NaCl		100 mM
9	DTT		1 mM
10	D2O		100 %

Sample #3

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
11	Rep PCV2 2-116	[U-13C; U-15N]	0.8 M
12	Sodium phosphate		20 mM
13	NaCl		100 mM
14	DTT		1 mM
15	D2O		8 %

Sample #4

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
16	Rep PCV2 2-116	[U-13C; U-15N]	0.8 M
17	Sodium phosphate		20 mM
18	NaCl		100 mM
19	DTT		1 mM
20	D2O		100 %

15 3D_CC_(CO)_NH

Instrument

#1 Model Bruker AMX Avance (600 MHz)

#2 Model Bruker AMX Avance (700 MHz)

Sample #1

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
1	Rep PCV2 2-116	[U-10% 13C; U-15N]	0.8 M
2	Sodium phosphate		20 mM
3	NaCl		100 mM
4	DTT		1 mM
5	D2O		8 %

Sample #2

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
6	Rep PCV2 2-116	[U-10% 13C; U-15N]	0.8 M
7	Sodium phosphate		20 mM
8	NaCl		100 mM
9	DTT		1 mM
10	D2O		100 %

Sample #3

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
11	Rep PCV2 2-116	[U-13C; U-15N]	0.8 M
12	Sodium phosphate		20 mM
13	NaCl		100 mM
14	DTT		1 mM
15	D2O		8 %

Sample #4

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
16	Rep PCV2 2-116	[U-13C; U-15N]	0.8 M
17	Sodium phosphate		20 mM
18	NaCl		100 mM
19	DTT		1 mM
20	D2O		100 %

16 HCCH_TOCSY

Instrument

#1 Model Bruker AMX Avance (600 MHz)

#2 Model Bruker AMX Avance (700 MHz)

Sample #1

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
1	Rep PCV2 2-116	[U-10% 13C; U-15N]	0.8 M
2	Sodium phosphate		20 mM
3	NaCl		100 mM
4	DTT		1 mM
5	D2O		8 %

Sample #2

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
6	Rep PCV2 2-116	[U-10% 13C; U-15N]	0.8 M
7	Sodium phosphate		20 mM
8	NaCl		100 mM
9	DTT		1 mM
10	D2O		100 %

Sample #3

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
11	Rep PCV2 2-116	[U-13C; U-15N]	0.8 M
12	Sodium phosphate		20 mM
13	NaCl		100 mM
14	DTT		1 mM
15	D2O		8 %

Sample #4

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
16	Rep PCV2 2-116	[U-13C; U-15N]	0.8 M
17	Sodium phosphate		20 mM
18	NaCl		100 mM
19	DTT		1 mM
20	D2O		100 %

17 3D_15N_edited_TOCSY

Instrument

#1 Model Bruker AMX Avance (600 MHz)

#2 Model Bruker AMX Avance (700 MHz)

Sample #1

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
1	Rep PCV2 2-116	[U-10% 13C; U-15N]	0.8 M
2	Sodium phosphate		20 mM
3	NaCl		100 mM
4	DTT		1 mM
5	D2O		8 %

Sample #2

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
6	Rep PCV2 2-116	[U-10% 13C; U-15N]	0.8 M
7	Sodium phosphate		20 mM
8	NaCl		100 mM
9	DTT		1 mM
10	D2O		100 %

Sample #3

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
11	Rep PCV2 2-116	[U-13C; U-15N]	0.8 M
12	Sodium phosphate		20 mM
13	NaCl		100 mM
14	DTT		1 mM
15	D2O		8 %

Sample #4

Temperature 298 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
16	Rep PCV2 2-116	[U-13C; U-15N]	0.8 M
17	Sodium phosphate		20 mM
18	NaCl		100 mM
19	DTT		1 mM
20	D2O		100 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr6928_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr6928_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	chem_shift_list_1	Warning	1375		97.4 (chain: 1, length: 115)
1	Chemical shift references	chemical_shift_referencing	OK	3		No information

Assigned chemical shifts

Saveframe: chem_shift_list_1

Status: Warning

Sequence coverage of experimental data

Entity_assembly_ID: 1, Chain length: 115, Sequence coverage: 97.4%

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
PSKKNGRSGPQPHKRWVFTLNNPSEDERKKIRDLPISLFDYFIVGEEGNEEGRTPHLQGFANFVKKQTFNKVKWYLGARCHIEKAKGTDQQNKEYCSKEG
  |||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
..KKNG.SGPQPHKRWVFTLNNPSEDERKKIRDLPISLFDYFIVGEEGNEEGRTPHLQGFANFVKKQTFNKVKWYLGARCHIEKAKGTDQQNKEYCSKEG

-------110-----
NLLMECGAPRSQGQR
|||||||||||||||
NLLMECGAPRSQGQR

Total number of assignments
- ¹³C chemical shifts: 498
- ¹H chemical shifts: 752
- ¹⁵N chemical shifts: 125

Completeness of assignments

Entity_assemble_ID: 1

Excluded Atom_ID in statistics

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
11	GLN	CD	180.598
13	HIS	ND1	218.835
13	HIS	NE2	179.988
16	TRP	CE2	138.662
21	ASN	CG	175.563
22	ASN	CG	177.991
28	ARG	CZ	160.326
49	ASN	CG	177.295
56	HIS	ND1	194.869
56	HIS	NE2	183.233
58	GLN	CD	179.544
67	GLN	CD	178.822
70	ASN	CG	176.153
74	TRP	CE2	138.458
79	ARG	CZ	160.068
81	HIS	ND1	220.249
81	HIS	NE2	175.622
90	GLN	CD	179.324
91	GLN	CD	180.485
92	ASN	CG	176.126
101	ASN	CG	177.432
112	GLN	CD	180.414
114	GLN	CD	180.567

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	525	481	91.6
¹H chemical shifts	748	674	90.1
¹⁵N chemical shifts	133	119	89.5

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	230	219	95.2
¹H chemical shifts	234	221	94.4
¹⁵N chemical shifts	108	101	93.5

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	295	262	88.8
¹H chemical shifts	514	453	88.1
¹⁵N chemical shifts	25	18	72.0

Methyl group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	39	39	100.0
¹H chemical shifts	39	39	100.0

Aromatic group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	58	39	67.2
¹H chemical shifts	60	42	70.0
¹⁵N chemical shifts	2	2	100.0

Redox state of CYS
Peptide bond of PRO
Tautomeric state of HIS
Rotameric state of ILE , LEU, and VAL
Histogram of normalized assigned chemical shifts
Random coil index and derived parameters (S² and NMR RMSD)
- Chain_ID: 1

Keywords Rep(2-116) of PCV2

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Found 1 Document (1.22 seconds)

BMRB: 6928

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. PCV2, : 1 : 1 : 1 : 11 entities Detail

Experiments performed 17 experiments Detail

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