back calculated data agree with experimental NOESY spectrum
代表モデル
モデル #1
closest to the average
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要素
#1: DNA鎖
5'-D(*CP*TP*AP*TP*(FAG)P*AP*TP*TP*CP*A)-3'
分子量: 3365.292 Da / 分子数: 1 / 由来タイプ: 合成
#2: DNA鎖
5'-D(*TP*GP*AP*AP*TP*CP*AP*TP*AP*G)-3'
分子量: 3068.042 Da / 分子数: 1 / 由来タイプ: 合成
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実験情報
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実験
実験
手法: 溶液NMR
NMR実験
Conditions-ID
Experiment-ID
Solution-ID
タイプ
1
1
1
1H-1H NOESY
1
2
1
1H-1H COSY
1
3
2
1H-1H NOESY
1
4
1
1H-31P COSY
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試料調製
詳細
Solution-ID
内容
溶媒系
1
1 mM 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE-1, 1 mM THYMIDINE-5'-MONOPHOSPHATE-2, 1 mM 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE-3, 1 mM Aflatoxin B1 Formamidopyrimidine-4, 1 mM 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE-5, 100% D2O
100% D2O
2
1 mM 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE-6, 1 mM THYMIDINE-5'-MONOPHOSPHATE-7, 1 mM 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE-8, 1 mM Aflatoxin B1 Formamidopyrimidine-9, 1 mM 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE-10, 90% H2O/10% D2O
90% H2O/10% D2O
試料
濃度 (mg/ml)
構成要素
Solution-ID
1mM
2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE-1
1
1mM
THYMIDINE-5'-MONOPHOSPHATE-2
1
1mM
2'-DEOXYADENOSINE-5'-MONOPHOSPHATE-3
1
1mM
Aflatoxin B1 Formamidopyrimidine-4
1
1mM
2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE-5
1
1mM
2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE-6
2
1mM
THYMIDINE-5'-MONOPHOSPHATE-7
2
1mM
2'-DEOXYADENOSINE-5'-MONOPHOSPHATE-8
2
1mM
Aflatoxin B1 Formamidopyrimidine-9
2
1mM
2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE-10
2
試料状態
イオン強度: 0.1 NaCl / pH: 8.7 / 圧: 1 atm / 温度: 280 K
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NMR測定
NMRスペクトロメーター
タイプ
製造業者
モデル
磁場強度 (MHz)
Spectrometer-ID
Bruker Avance
Bruker
AVANCE
800
1
Bruker Avance
Bruker
AVANCE
600
2
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解析
NMR software
名称
バージョン
開発者
分類
Amber
9
Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... andKollm