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. 2012 Aug 7;7(8):e42207. doi: 10.1371/journal.pone.0042207

Table 3. 15N, 13C and 1H Resonance Assignments for r-RGD-Hirudin at pH 7.4 and 25°C.

Residue Chemical shift (ppm)
15N C C’ NH
V1 60.0 33.1 176.3 3.53
V2 125.8 61.6 32.6 175.3 8.32 4.03
Y3 125.9 57.1 40.0 175.2 8.33 5.00
T4 111.9 59.4 71.9 176,2 9.05 4.67
D5 121.1 55.8 40.3 176.9 8.54 4.86
C6 121.1 55.3 39.9 175.0 8.95 4.63
T7 113.8 61.4 70.5 174.4 9.50 4.40
E8 120.3 54.6 33.2 174.9 7.39 4.57
S9 119.7 59.6 63.3 175.9 9.01 4.86
G10 112.8 44.2 173.3 9.72 4.59, 3.34
Q11 120.6 54.8 32.7 175.6 7.42 5.30
N12 118.7 51.9 39.9 174.5 8.21 4.54
L13 113.6 55.3 37.8 175.2 9.23 3.25
C14 109.2 53.1 43.6 172.0 7.30 4.98
L15 119.8 54.9 39.2 174.0 9.08 4.26
C16 126.1 56.6 40.6 172.3 7.46 4.75
E17 120.7 54.8 27.8 175.8 8.67 4.46
G18 116.5 46.3 174.5 8.48 3.95, 3.61
S19 120.1 57.6 62.9 173.4 8.70 4.39
N20 119.2 52.7 39.2 176.4 7.97 4.81
V21 128.7 63.3 31.7 174.4 9.07 3.40
C22 129.3 53.0 37.3 174.6 8.47 5.12
G23 116.7 44.0 172.2 9.16 4.03, 3.98
Q24 117.8 58.0 28.3 177.1 8.50 4.03
G25 114.2 44.3 172.7 9.12 4.24, 3.66
N26 120.3 51.8 44.0 172.3 8.07 5.51
K27 112.2 54.6 35.5 173.1 9.32 4.45
C28 120.8 53.9 42.5 174.1 9.11 5.38
I29 131.8 59.2 36.7 176.6 9.86 4.28
L30 130.0 54.9 41.0 178.3 8.36 4.13
G31 109.8 44.4 173.1 9.01 3.82 3.42,
R32 121.5 54.9 31.4 177.1 8.11 4.51
G33 113.0 46.5 174.9 8.87 4.69 3.81
D34 125.3 54.3 40.6 176.4 8.69 4.62
S35 116.2 58.1 64.6 173.4 7.98 4.52
K36 120.7 55.0 33.6 176.9 8.36 4.42
N37 120.8 52.7 38.8 175.1 8.70 4.76
Q38 118.0 54.6 33.5 173.1 8.45 4.73
C39 127.9 54.8 38.8 174.6 10.3 5.42
V40 124.4 59.2 34.7 174.8 9.27 4.88
T41 116.1 63.7 69.7 174.7 8.28 4.46
G42 114.2 44.1 171.3 8.27 4.12, 3.61
E43 119.6 56.8 29.2 176.4 8.09 4.18
G44 113.8 44.3 172.7 7.85 4.58, 3.55
T45 115.8 57.8 70.6 180.8 8.19 4.85
P46 62.4 31.9 175.1 4.62
K47 125.4 55.0 32.9 174.9 8.42 4.38
P48 63.7 31.9 177.0 4.46
Q49 121.9 55.5 29.5 175.4 8.63 4.32
S50 121.7 8.29 4.37
H51 112.9 8.17 4.72
N52 122.8 53.4 38.7 175.0 8.38 4.64
Q53 121.3 56.6 28.9 176.4 8.54 4.76
G54 109.9 44.4 173.8 8.44 3.90, 3.84
D55 120.4 54.5 40.9 175.7 8.17 4.12
F56 119.4 57.3 39.6 175.1 8.04 4.61
E57 124.5 53.7 29.9 173.4 8.18 4.41
P58 62.4 31.7 176.6 4.38
I59 123.3 58.6 38.4 175.0 8.25 4.41
P60 63.4 31.9 177.0 4.38
E61 121.2 56.4 30.0 176.3 8.58 4.09
D62 120.8 54.3 40.9 175.7 8.29 4.53
A63 123.9 52.3 19.0 177.2 8.05 4.24
Y64 119.6 57.7 38.7 175.4 8.13 4. 57
D65 122.7 54.0 41.2 174.9 8.25 4.61
E66 126.0 58.0 31.1 176.6 7.83 3.96