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
TopSpin
2.1
BrukerBiospin
collection
TopSpin
2.1
BrukerBiospin
解析
Sparky
Goddard
chemicalshiftassignment
CYANA
2
Guntert, MumenthalerandWuthrich
構造決定
CYANA
2
Guntert, MumenthalerandWuthrich
精密化
NMR constraints
NOE constraints total: 263 / NOE intraresidue total count: 74 / NOE long range total count: 3 / NOE medium range total count: 96 / NOE sequential total count: 90 / Protein chi angle constraints total count: 0 / Protein other angle constraints total count: 0 / Protein phi angle constraints total count: 29 / Protein psi angle constraints total count: 28
代表構造
選択基準: lowest energy
NMRアンサンブル
Average torsion angle constraint violation: 8.9 ° / コンフォーマー選択の基準: target function / 計算したコンフォーマーの数: 100 / 登録したコンフォーマーの数: 20 / Maximum lower distance constraint violation: 0 Å / Maximum torsion angle constraint violation: 8.9 ° / Maximum upper distance constraint violation: 0 Å / 代表コンフォーマー: 1
NMR ensemble rms
Distance rms dev: 0 Å / Distance rms dev error: 0 Å