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. Author manuscript; available in PMC: 2014 Aug 11.
Published in final edited form as: J Nat Prod. 2014 Feb 5;77(2):304–310. doi: 10.1021/np400899a

Figure 3.

Figure 3

Secondary structural elements of ASPE. (A) Summary of sequential and medium-range NOE correlations (|i − j| < 5), 3JαN values, and chemical shift indices (CSI). NOE intensities are grouped into four classes (2.5, 3.0, 4.0, and 5.0 Å), which are represented by the thickness of solid lines, where thicker lines indicate stronger NOE correlations. Filled circles indicate positions where 3JαN values are >8 Hz. Consensus results of CSI values derived from CαH, Cα, and Cβ chemical shifts of ASPC are indicated by a ternary index with values of −1, 0, and +1. The arrows at the top of the figure indicate the positions of β-sheets as determined by combinations of strong sequential dαN, weak dNN, and large 3JαN values and a CSI value of +1 (downfield shift). (B) Long-range NOE correlations (|i − j| ≥ 5) and H-bonds of the triple-stranded antiparallel β-sheet region. NOE correlations and H-bonds are indicated by solid arrows and dashed lines, respectively.