STRUCTURES WITH ACCEPTABLE COVALENT GEOMETRY, STRUCTURES WITH FAVORABLE NON- BOND ENERGY, STRUCTURES WITH THE LEAST RESTRAINT VIOLATIONS, STRUCTURES WITH THE LOWEST ENERGY
Text: NOESY MIXING TIMES OF 60 AND 100 MS FOR THE 3D 1H-15N AND 3D 1H-13C NOESY-HSQC SPECTRA. NOESY MIXING TIME OF 140 MS FOR THE 15N HSQC-NOESY-HSQC SPECTRA.
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試料調製
詳細
Solution-ID
内容
1
1.2 MM NMR SAMPLE OF PURIFIED AND UNIFORMLY 15N/13C ISOTOPICALLY LABELED LFA-1 I-DOMAIN
手法: TORSION ANGLE DYNAMICS SIMULATED ANNEALING / ソフトェア番号: 1 詳細: MODEL-BASED APPROACH USED TO ASSIGN NOESY SPECTRA USING EXISTING X-RAY STRUCTURES AS A MODEL. THE STRUCTURES ARE BASED ON A TOTAL OF 5656 RESTRAINTS, 2289 ARE UNIQUE NOE-DERIVED DISTANCE ...詳細: MODEL-BASED APPROACH USED TO ASSIGN NOESY SPECTRA USING EXISTING X-RAY STRUCTURES AS A MODEL. THE STRUCTURES ARE BASED ON A TOTAL OF 5656 RESTRAINTS, 2289 ARE UNIQUE NOE-DERIVED DISTANCE CONSTRAINTS, 3082 AMBIGOUS NOE-DERIVED RESTRAINTS, AND 285 DIHEDRAL ANGLE RESTRAINTS.
NMRアンサンブル
コンフォーマー選択の基準: STRUCTURES WITH ACCEPTABLE COVALENT GEOMETRY, STRUCTURES WITH FAVORABLE NON- BOND ENERGY, STRUCTURES WITH THE LEAST RESTRAINT VIOLATIONS, STRUCTURES WITH THE LOWEST ENERGY 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: 22