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: 20 / 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 / Torsion angle constraint violation method: PROCHECK_NMR
NMR ensemble rms
Distance rms dev: 0.93 Å / Distance rms dev error: 0.32 Å