タイプ: Bruker Avance / 製造業者: Bruker / モデル: AVANCE / 磁場強度: 800 MHz
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解析
NMR software
名称
開発者
分類
X-PLOR NIH
Schwieters, Kuszewski, TjandraandClore
collection
X-PLOR NIH
Schwieters, Kuszewski, TjandraandClore
chemicalshiftassignment
X-PLOR NIH
Schwieters, Kuszewski, TjandraandClore
精密化
精密化
手法: simulated annealing / ソフトェア番号: 1
NMR constraints
NOE constraints total: 2593 / NOE intraresidue total count: 822 / NOE long range total count: 500 / NOE medium range total count: 458 / NOE sequential total count: 813 / Protein phi angle constraints total count: 105 / Protein psi angle constraints total count: 105
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 least restraint violations 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: 20 / Maximum lower distance constraint violation: 1.8 Å / Maximum upper distance constraint violation: 6 Å
NMR ensemble rms
Distance rms dev: 0.34 Å / Distance rms dev error: 0.06 Å