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The conformation of the C-terminal octapeptide fragment of Substance P (SP4-11, Pro-GlnGln-Phe-Phe-Gly-Leu-Met-NH2) has been investigated by 2D-NMR and MD methods. The octapeptide exists in a blend of conformations. The molecule seems to shuttle between conformations with y-bends either at Phe5 or Gly6 or Gln3 or Leu7 and between a nearly extended structure.
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