Supplementary material for Lombardi et al. (2000) Proc. Natl. Acad. Sci. USA 97 (22), 11922–11927.

Table 2

. Proton chemical shifts in CD3OH at 278 K*

Residue

Proton

d,

 ppm

3

J, Hz

Ac

CH3

2.02

 

Cys1

NH

8.72

J(NH-aCH) = 6.8

 

a

CH

4.46

 
 

b

CH

3.28

 
 

b¢

CH

2.90

 
    

Thr2

NH

8.18

J(NH-aCH) = 5.4

 

a

CH

4.30

 
 

b

CH

4.04

 
 

g

CH3

1.29

 
    

Lys3

NH

9.34

J(NH-aCH) = 9.3

 

a

CH

4.36

 
 

bb¢

CH2

2.09

 
 

gg¢

CH2

1.40

 
 

dd¢

CH2

1.75

 
 

ee¢

CH2

2.91

 
    

Cys4

NH

8.91

J(NH-aCH) = 9.5

 

a

CH

†

 
 

b

CH

3.20

 
 

b¢

CH

2.64

 
    

Gly5

NH

7.96

J(NH-aCH) = 5.9

 

a

CH

4.11

 
 

a¢

CH

3.81

 
    

Ala6

NH

8.94

J(NH-aCH) = 5.8

 

a

CH

4.30

 
 

b

CH3

1.47

 
    

Asn7

NH

8.33

J(NH-aCH) = 7.7

 

a

CH

4.72

 
 

bb¢

CH2

2.84

 
 

CONH2

7.18, 7.92

 
    

Aib8

NH

8.69

 
 

2 b

CH3

1.49

 
    

Ser9

NH

8.40

J(NH-aCH) = 4.9

 

a

CH

4.17

 
 

b

CH

3.98

 
 

b¢

CH

3.87

 
    

Glu10

NH

8.10

J(NH-aCH) = 5.9

 

a

CH

4.17

 
 

b

CH

2.28

 
 

b¢

CH

2.17

 
 

gg¢

CH2

2.42

 
    

Ile11

NH

7.48

J(NH-aCH) = 9.0

 

a

CH

4.23

 
 

b

CH

2.00

 
 

g

CH

1.54

 
 

g¢

CH

1.32

 
 

g

CH3

0.97

 
 

d

CH3

0.89

 
 

CONH2

7.10 7.34

 

Chemical shifts are referred to as TMS.

*Concentration 1.5 mg/ml.

†

This resonance resides under solvent.