Table 1 ¹H and ¹³C NMR, COSY and HMBC correlations for TFX2

Asp-1

HN

nd

Cα

53.3

Hα

4.26–4.22 (m, 1H)

Hβ1, Hβ2

Cβ

40.4

Hβ1

2.80 (dd, J = 17.0, 5.6 Hz, 1H)

Hα

Cα, COOH

Hβ2

2.69 (dd, J = 17.0, 7.8 Hz, 1H)

Hα

Ile-2

HN

8.70

Hα

Cα

61.6

Hα

4.20 (d, J = 7.0 Hz, 1H)

HN, Hβ

Cβ, Cδ, Cγ, C=O

Cβ

38.7

Hβ

1.92-1.84 (m, 1H)

Hα, Hγ1, Hγ2

Cδ

Cg

27.3

Hγ1

1.51–1.44 (m, 1H)

Hβ, Hδ, Hγ2

Hγ2

1.20 (dt, J = 13.4, 7.9 Hz, 1H)

Hβ, Hγ1

Cδ

17.3

Hδ

0.93 (d, J = 6.8 Hz, 3H)

Hβ, Hγ1 Hε

Cγ, Cα

Cε

13.1

Hε

0.87 (t, J = 7.4 Hz, 3H)

Hβ, Hγ1, Hγ2

Cγ, Cβ

Gly-3

HN

8.70

Hα

Cα

45.2

Hα

3.97 (d, J = 2.7 Hz, 2H)

Gly-4

HN

8.37

Hα

Cα

45.0

Hα

4.03 (d, J = 6.7 Hz, 2H)

Ser-5

HN

8.41

Hα

Cα

58.4

Hα

4.51 (t, J = 5.7 Hz, 1H)

HN,Hβ

C=O

Cβ

63.7

Hβ

3.89–3.83 (m, 2H)

Hα

Arg-6

NOH

8.53

Cα

58.0

Hα

4.76–4.72 (m, 1H)

Hβ

Cβ

33.1

Hβ1

1.98–1.91 (m, 1H)

Hα, Hγ1

Hβ2

1.92–1.84 (m, 1H)

Hγ1, Hγ2

Cγ

27.0

Hγ1

1.72–1.64 (m, 1H)

Hβ1, Hβ2, Hδ

Cα

Hγ2

1.64–1.57 (m, 1H)

Hβ1

Cδ

43.2

Hδ1

3.19 (t, J = 6.8 Hz, 2H)

Hγ1

C(NH)NH2

Chr

NH

nd

Cγ

83.7

Hγ

5.80 (s, 1H)

Cα, Cβ, Cδ

Gly-8

HN

nd

Cα

43.6

Hα1

4.46 (d, J = 17.6 Hz, 1H)

Hα2

4.61 (d, J = 17.4 Hz, 1H)

Cys-9

HN

nd

Cα

80.1

Hα

5.19 (t, J = 9.3 Hz, 1H)

Hβ1, Hβ2

Cβ

38.2

Hβ1

3.70 (dd, J = 11.3, 9.7 Hz, 1H)

Hα

Cα, C=O

Hb2

3.53 (dd, J = 11.4, 8.4 Hz, 1H)

Hα

Val-10

HN

7.99

Hα

Cα

61.7

Hα

4.17 (d, J = 6.8 Hz, 1H)

HN, Hβ

Cγ, Cβ, C=O

Cβ

33.0

Hβ

2.08 (h, J = 6.7 Hz, 1H)

Hα, Hγ1

Cα, Cβ, Cγ2

Cγ1

21.2

Hγ1

0.89 (d, J = 6.8 Hz, 3H)

Hβ, Hγ2

Cα, Cβ, Cγ1

Cγ2

19.8

Hγ2

0.79 (d, J = 6.8 Hz, 3H)

Hγ1

Ala-11

HN

8.2

Hα, Hβ

Cα

53.9

Hα

4.10 (q, J = 7.3 Hz, 1H)

HN, Hβ

Cβ, COOH

Cβ

20.0

Hβ

1.32 (d, J = 7.2 Hz, 3H),

Hα

Cα