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. 2003 Jul;185(14):4256–4267. doi: 10.1128/JB.185.14.4256-4267.2003

TABLE 2.

Chemical shifts and scalar coupling constants of peptide 1-25 measured in hexafluoroacetone 50% solution

Residue NH Other 3JΦ
1A 4.12 1.59 ba
2K 8.28 4.39 1.80-1.87 1.37-1.56 1.74 ɛ3.06, NHɛ 6.53-7.3 6.0
3V 7.63 4.16 2.05 0.89-0.94 7.7
4N 8.18 4.86 2.75-2.91 6.53-7.34 6.8
5I 7.57 4.34 2.01 1.21-1.46 CH3 0.90-0.97 7.1
6K 7.81 4.38 2.08-2.01 1.30-1.34 1.66-1.78 ɛ 2.33-2.3, NHɛ 6.3 7.11 6.2
7P 0.3 4.37 1.84-2.37 2.0-2.08 3.74-3.76
8L 7.1 4.25 1.73-1.76 1.65 0.94-0.97 <3.5
9E 7.98 4.01 1.99-2.18 2.46-2.50 <3.5
10D 8.36 4.47 2.83-2.88 <3.5
11K 7.6 4.06 2.01-2.07 1.48-1.58 1.71-1.88 ɛ 3.02, NHɛ 3 7.1 <3.5
12I 7.98 3.75 1.72 0.94-1.18 0.86 <3.5
13L 8.03 4.13 1.58-1.93 1.81 0.89-0.93 <3.5
14V 8.07 3.72 2.18 0.96-1.10 <3.5
15Q 8 4.09 2.23-2.29 2.39-2.58 6.53-6.98 <3.5
16A 8.74 4.18 1.54 <3.5
17N 8.15 4.53 2.81-2.97 6.7-7.53 <3.5
18E 8.48 4.16 2.21-2.29 2.49-2.57 <3.5
19A 8.4 4.17 1.55 <3.5
20E 8.23 4.21 2.22-2.29 2.56-2.75 <3.5
21T 7.98 4.27 4.37 1.33 <3.5
22T 8.48 3.84 4.17 1.32 <3.5
23T 7.91 4.27 4.37 4.0
24A 7.87 4.44 1.49 5.5
25S 7.84 4.53 3.97-4.03 7.3
a

b, broad.