分子量: 1310.548 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
Conditions-ID
Experiment-ID
Solution-ID
タイプ
1
1
1
NOESY
1
2
1
DQF-COSY
1
3
1
E-COSY
1
4
1
C13-HSQC
NMR実験の詳細
Text: THE ENSEMBLE WAS DETERMINED USING STANDARD 2D HOMONUCLEAR TECHNIQUES (CIRCA 2000).
手法: RESTRAINED MOLECULAR DYNAMICS, CHEMICAL SHIFT REFINEMENT. ソフトェア番号: 1 詳細: ENSEMBLE A22 IS BASED ON A TOTAL OF 170 NOE-DERIVED DISTANCE CONSTRAINTS, 10 DIHEDRAL ANGLE RESTRAINTS, 2 COVALENT -SS- BONDS N-ACETYL-CYS-1 TO CYS-11 AND CYS-3 TO CYS-9 RESPECTIVELY. ...詳細: ENSEMBLE A22 IS BASED ON A TOTAL OF 170 NOE-DERIVED DISTANCE CONSTRAINTS, 10 DIHEDRAL ANGLE RESTRAINTS, 2 COVALENT -SS- BONDS N-ACETYL-CYS-1 TO CYS-11 AND CYS-3 TO CYS-9 RESPECTIVELY. REFINEMENTS INCORPORATED ALPHA PROTON AND ALPHA, BETA CARBON SHIFTS OF 11 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