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. 2013 Mar 28;8(3):e59810. doi: 10.1371/journal.pone.0059810

Table 1. 1H -NMR assignments (ppm) for the amino acids of Ps-1 and II-2 sequences, and PROPa.

1H-Cα 1H-Cβ 1H-Cγ 1H-Cδ 1H-Cε 1H-Cβ’
←Ala ←3.83 (q) ←1.53 (d)
←Arg ←3.26t ←1.66–1.73 (m) ←1.66–1.73 (m) ←3.38t
←(3.28t)b ←(1.67–1.75m)b ←(1.67–1.75m)b ←(3.6br)b
←Asn ←4.06 (q) ←2.95 (dd)
←Asp ←4.10 (t) ←3.03 (dd)
←Gly ←3.61 (s)
←Glu ←3.86 (t) ←2.15–2.26 (m) ←2.59–2.63 (m)
←Gln ←3.82 (t) ←2.19 (q) ←2.48–2.55 (m)
←Ile ←3.72 (d) ←2.00–2.05 (m) ←1.32.–1.55(m) ←1.00 (t) ←1.06 (d)
←Leu ←3.78 (t) ←1.71–1.82 (m) ←1.71–1.82 (m) ←1.01 (t)
←Lys ←3.61t ←1.76–1.85 (m) ←1.40–1.60 (m) ←1.74t ←3.06 (t)
←(3.8br)b ←(1.92–2.00 m, br)b ←(1.40–1.60 m, br)b ←(1.77t)b ←(3.07t)b
←Pro ←4.18 (t) ←2.38–2.53 (m) ←2.04–2.15 (m) ←3.37–3.50 (m)
←Ser ←3.94–4.06(m) ←3.89 (t)
←Val ←3.66 (d) ←2.29–2.36 (m) ←1.07 (dd)
a

PROP assignments (ppm): 1.00t [CH3(CH2CH2)]; 1.70q [(CH3)CH2(CH2)]; 2.52t [(CH3CH2)CH2]; 5.985s H(CH).

b

Chemical shifts upon PROP addition are reported in parentheses only when changed.

NMR signal descriptions: s (singlet); d (doublet); t (triplet); q (quadruplet); m (multiplet); br (broad signal); dd (doublet of doublets).