タイプ: Bruker AMX / 製造業者: Bruker / モデル: AMX / 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
BrukerAnalytikGmbH
collection
Sparky
3
Goddard, T.D.
データ解析
DYANA
1.5
Guentert, P.
精密化
Amber
7
Caseetal
精密化
精密化
手法: simulated annealing, torsion angle dynamics, molecular dynamics ソフトェア番号: 1 詳細: The structure is based on a total of 316 restraints, 249 are NOE-derived distance restraints, 43 dihedral angle restraints, 16 distance restraints from hydrogen bonds, 8 distance constraints ...詳細: The structure is based on a total of 316 restraints, 249 are NOE-derived distance restraints, 43 dihedral angle restraints, 16 distance restraints from hydrogen bonds, 8 distance constraints from coordinated Zinc ion.
代表構造
選択基準: fewest violations
NMRアンサンブル
コンフォーマー選択の基準: structures with the least restraint violations 計算したコンフォーマーの数: 1 / 登録したコンフォーマーの数: 1