分子量: 1505.774 Da / 分子数: 1 / 由来タイプ: 合成 詳細: The peptide was chemically synthesized: Commercial solid phase with cyclization with selective disulphide oxidation.
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実験情報
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実験
実験
手法: 溶液NMR
NMR実験
タイプ: NOESY & DQF-COSY
NMR実験の詳細
Text: THE ENSEMBLE WAS DETERMINED USING STANDARD 2D HOMONUCLEAR NMR TECHNIQUES (CIRCA 2000)
手法: RESTRAINED MOLECULAR DYNAMICS, CHEMICAL SHIFT REFINEMENT. ソフトェア番号: 1 詳細: ENSEMBLE D18 IS BASED ON A TOTAL OF 70 NOE-DERIVED DISTANCE CONSTRAINTS, 8 DIHEDRAL ANGLE RESTRAINTS, 1 COVALENT ACE-CYS-SS-CYS BOND AND 1 LRGD I,I+3 HYDROGEN BOND RESPECTIVELY. REFINEMENTS ...詳細: ENSEMBLE D18 IS BASED ON A TOTAL OF 70 NOE-DERIVED DISTANCE CONSTRAINTS, 8 DIHEDRAL ANGLE RESTRAINTS, 1 COVALENT ACE-CYS-SS-CYS BOND AND 1 LRGD I,I+3 HYDROGEN BOND RESPECTIVELY. REFINEMENTS INCORPORATED ALPHA PROTON AND ALPHA, BETA CARBON SHIFTS OF 10 RESIDUES.
NMRアンサンブル
コンフォーマー選択の基準: structures with the lowest energy 計算したコンフォーマーの数: 200 / 登録したコンフォーマーの数: 15