タイプ: Bruker DRX / 製造業者: Bruker / モデル: DRX / 磁場強度: 600 MHz
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解析
NMR software
名称
バージョン
開発者
分類
XwinNMR
2.5
Bruker
解析
XEASY
1.3.13
Bartelsetal
データ解析
DYANA
1.5
Guntertetal
精密化
ARIA
1.2
Lingeetal
構造決定
精密化
手法: simulated annealing, molecular dynamics, torsion angle dynamics ソフトェア番号: 1 詳細: Structure calculations were performed using the package ARIA1.2 (Ambiguous Restraints in Iterative Assignment). Final structures are based on 709 unambiguous NOE-derived distance constraints, ...詳細: Structure calculations were performed using the package ARIA1.2 (Ambiguous Restraints in Iterative Assignment). Final structures are based on 709 unambiguous NOE-derived distance constraints, 14 sets of ambiguous NOE-derived distance constraints and 22 additional dihedral angle restraints.
代表構造
選択基準: lowest energy
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: 1000 / 登録したコンフォーマーの数: 20