分子量: 897.997 Da / 分子数: 1 / 断片: Allatostatin-8, sequence database residues 192-200 / 由来タイプ: 合成 詳細: The peptide is naturally found in Diploptera punctata (Pacific beetle cockroach). 参照: UniProt: P12764
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実験情報
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実験
実験
手法: 溶液NMR
NMR実験
Conditions-ID
Experiment-ID
Solution-ID
タイプ
1
1
1
2D NOESY
1
2
1
2D TOCSY
1
3
1
DQF-COSY
1
4
1
2D 1H-13C HSQC
NMR実験の詳細
Text: SEVEN DIHEDRAL ANGLE RESTRAINTS WERE OBTAINED FROM THE PROGRAM CYANA. IN ADDITION, SIX COUPLING CONSTANTS WERE OBTAINED BY THE METHOD OUTLINED BY KIM AND PRESTEGARD (1989).
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試料調製
詳細
内容: 1 mM DIP-AST8: 9 RESIDUE PEPTIDE (GGSLYSFGL-NH2), 1mM concentration, pure D2O or 90% H2O/10% D2O 溶媒系: 1mM concentration, pure D2O or 90% H2O/10% D2O
手法: TORSION ANGLE DYNAMICS AS IMPLEMENTED BY THE PROGRAM CYANA ソフトェア番号: 1 詳細: THE FINAL STRUCTURES WERE RUN THROUGH MOLECULAR DYNAMICS SIMULATIONS BUT NOT FOR THE PURPOSE OF STRUCTURE REFINEMENT
代表構造
選択基準: closest to the average
NMRアンサンブル
コンフォーマー選択の基準: target function / 計算したコンフォーマーの数: 1000 / 登録したコンフォーマーの数: 30