Backbone and sidechain 1H, 13C, and 15N Chemical Shift Assignments for CG7054
MDDIVPDVLD AVPAGTIKVI YGDDLEVKQG NELTPTQVKD QPIVSWSGLE GKSNLLTLLM VDPDAPTRQD PKYREILHWS VVNIPGSNEN PSGGHSLADY VGSGPPKDTG LHRYIFLLYR QENKIEETPT ISNTTRTGRL NFNARDFAAK HGLGEPIAAN YYQAQYDDYV PIRNKTIVG
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 92.0 % (1887 of 2052) | 90.7 % (967 of 1066) | 92.0 % (737 of 801) | 98.9 % (183 of 185) |
Backbone | 98.3 % (1028 of 1046) | 97.8 % (351 of 359) | 98.3 % (513 of 522) | 99.4 % (164 of 165) |
Sidechain | 87.3 % (1021 of 1170) | 87.1 % (616 of 707) | 87.1 % (386 of 443) | 95.0 % (19 of 20) |
Aromatic | 50.0 % (71 of 142) | 56.3 % (40 of 71) | 42.0 % (29 of 69) | 100.0 % (2 of 2) |
Methyl | 99.0 % (202 of 204) | 99.0 % (101 of 102) | 99.0 % (101 of 102) |
1. CG7054
MDDIVPDVLD AVPAGTIKVI YGDDLEVKQG NELTPTQVKD QPIVSWSGLE GKSNLLTLLM VDPDAPTRQD PKYREILHWS VVNIPGSNEN PSGGHSLADY VGSGPPKDTG LHRYIFLLYR QENKIEETPT ISNTTRTGRL NFNARDFAAK HGLGEPIAAN YYQAQYDDYV PIRNKTIVGTemperature 293 (±0.1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CG7054 | [U-13C; U-15N] | protein | 1.5 mM |
2 | K phosphate pH 6.5 | buffer | 50 mM | |
3 | DSS | 1 mM | ||
4 | D2O | 10 % | ||
5 | NaN3 | 0.02 % |
Temperature 293 (±0.1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | CG7054 | [U-15N] | protein | 1.5 mM |
7 | K phosphate pH 6.5 | buffer | 50 mM | |
8 | DSS | 1 mM | ||
9 | D2O | 10 % | ||
10 | NaN3 | 0.02 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Varian INOVA - 600 MHz
State isotropic, Temperature 293 (±0.1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CG7054 | [U-13C; U-15N] | protein | 1.5 mM |
2 | K phosphate pH 6.5 | buffer | 50 mM | |
3 | DSS | 1 mM | ||
4 | D2O | 10 % | ||
5 | NaN3 | 0.02 % |
Varian INOVA - 600 MHz
State isotropic, Temperature 293 (±0.1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CG7054 | [U-13C; U-15N] | protein | 1.5 mM |
2 | K phosphate pH 6.5 | buffer | 50 mM | |
3 | DSS | 1 mM | ||
4 | D2O | 10 % | ||
5 | NaN3 | 0.02 % |
Varian INOVA - 600 MHz
State isotropic, Temperature 293 (±0.1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CG7054 | [U-13C; U-15N] | protein | 1.5 mM |
2 | K phosphate pH 6.5 | buffer | 50 mM | |
3 | DSS | 1 mM | ||
4 | D2O | 10 % | ||
5 | NaN3 | 0.02 % |
Varian INOVA - 600 MHz
State isotropic, Temperature 293 (±0.1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CG7054 | [U-13C; U-15N] | protein | 1.5 mM |
2 | K phosphate pH 6.5 | buffer | 50 mM | |
3 | DSS | 1 mM | ||
4 | D2O | 10 % | ||
5 | NaN3 | 0.02 % |
Varian INOVA - 600 MHz
State isotropic, Temperature 293 (±0.1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CG7054 | [U-13C; U-15N] | protein | 1.5 mM |
2 | K phosphate pH 6.5 | buffer | 50 mM | |
3 | DSS | 1 mM | ||
4 | D2O | 10 % | ||
5 | NaN3 | 0.02 % |
Varian INOVA - 600 MHz
State isotropic, Temperature 293 (±0.1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CG7054 | [U-13C; U-15N] | protein | 1.5 mM |
2 | K phosphate pH 6.5 | buffer | 50 mM | |
3 | DSS | 1 mM | ||
4 | D2O | 10 % | ||
5 | NaN3 | 0.02 % |
Varian INOVA - 600 MHz
State isotropic, Temperature 293 (±0.1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CG7054 | [U-13C; U-15N] | protein | 1.5 mM |
2 | K phosphate pH 6.5 | buffer | 50 mM | |
3 | DSS | 1 mM | ||
4 | D2O | 10 % | ||
5 | NaN3 | 0.02 % |
Varian INOVA - 600 MHz
State isotropic, Temperature 293 (±0.1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CG7054 | [U-13C; U-15N] | protein | 1.5 mM |
2 | K phosphate pH 6.5 | buffer | 50 mM | |
3 | DSS | 1 mM | ||
4 | D2O | 10 % | ||
5 | NaN3 | 0.02 % |
Varian INOVA - 600 MHz
State isotropic, Temperature 293 (±0.1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CG7054 | [U-13C; U-15N] | protein | 1.5 mM |
2 | K phosphate pH 6.5 | buffer | 50 mM | |
3 | DSS | 1 mM | ||
4 | D2O | 10 % | ||
5 | NaN3 | 0.02 % |
Varian INOVA - 600 MHz
State isotropic, Temperature 293 (±0.1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CG7054 | [U-13C; U-15N] | protein | 1.5 mM |
2 | K phosphate pH 6.5 | buffer | 50 mM | |
3 | DSS | 1 mM | ||
4 | D2O | 10 % | ||
5 | NaN3 | 0.02 % |
Varian INOVA - 600 MHz
State isotropic, Temperature 293 (±0.1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | CG7054 | [U-15N] | protein | 1.5 mM |
7 | K phosphate pH 6.5 | buffer | 50 mM | |
8 | DSS | 1 mM | ||
9 | D2O | 10 % | ||
10 | NaN3 | 0.02 % |
Varian INOVA - 600 MHz
State isotropic, Temperature 293 (±0.1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CG7054 | [U-13C; U-15N] | protein | 1.5 mM |
2 | K phosphate pH 6.5 | buffer | 50 mM | |
3 | DSS | 1 mM | ||
4 | D2O | 10 % | ||
5 | NaN3 | 0.02 % |
Varian INOVA - 600 MHz
State isotropic, Temperature 293 (±0.1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CG7054 | [U-13C; U-15N] | protein | 1.5 mM |
2 | K phosphate pH 6.5 | buffer | 50 mM | |
3 | DSS | 1 mM | ||
4 | D2O | 10 % | ||
5 | NaN3 | 0.02 % |
Properties
Disulfide bonds
NoneOther bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
NoneContent subtype: bmr7286_3.str
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MDDIVPDVLDAVPAGTIKVIYGDDLEVKQGNELTPTQVKDQPIVSWSGLEGKSNLLTLLMVDPDAPTRQDPKYREILHWSVVNIPGSNENPSGGHSLADY |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MDDIVPDVLDAVPAGTIKVIYGDDLEVKQGNELTPTQVKDQPIVSWSGLEGKSNLLTLLMVDPDAPTRQDPKYREILHWSVVNIPGSNENPSGGHSLADY -------110-------120-------130-------140-------150-------160-------170--------- VGSGPPKDTGLHRYIFLLYRQENKIEETPTISNTTRTGRLNFNARDFAAKHGLGEPIAANYYQAQYDDYVPIRNKTIVG |||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| VGSG.PKDTGLHRYIFLLYRQENKIEETPTISNTTRTGRLNFNARDFAAKHGLGEPIAANYYQAQYDDYVPIRNKTIVG
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
29 | GLN | CD | 180.872 |
31 | ASN | CG | 177.691 |
37 | GLN | CD | 179.392 |
41 | GLN | CD | 179.825 |
54 | ASN | CG | 175.776 |
69 | GLN | CD | 180.485 |
83 | ASN | CG | 178.075 |
88 | ASN | CG | 176.749 |
90 | ASN | CG | 177.34 |
123 | ASN | CG | 176.302 |
141 | ASN | CG | 178.923 |
143 | ASN | CG | 176.817 |
160 | ASN | CG | 176.122 |
163 | GLN | CD | 178.689 |
165 | GLN | CD | 180.655 |
174 | ASN | CG | 175.436 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 1066 | 960 | 90.1 |
13C chemical shifts | 801 | 727 | 90.8 |
15N chemical shifts | 193 | 182 | 94.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 359 | 351 | 97.8 |
13C chemical shifts | 358 | 349 | 97.5 |
15N chemical shifts | 165 | 164 | 99.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 707 | 609 | 86.1 |
13C chemical shifts | 443 | 378 | 85.3 |
15N chemical shifts | 28 | 18 | 64.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 104 | 97 | 93.3 |
13C chemical shifts | 104 | 100 | 96.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 71 | 34 | 47.9 |
13C chemical shifts | 69 | 25 | 36.2 |
15N chemical shifts | 2 | 2 | 100.0 |