2D ¹H-¹⁵N HSQC Peak Assignments for Human Hsp70-NBD with ADP, ATP-analogue, and VER-155008

This dataset contains the 2D ¹H-¹⁵N HSQC backbone resonance assignments (290 peaks) for the human Hsp70 Nucleotide Binding Domain (NBD, residues 1-381). The data is provided for the protein in complex with:
ADP (reference state)AMPPNP (ATP-analogue)VER-155008 (inhibitor)These assignments were generated using CCPNmr Analysis and were used to calculate the chemical shift perturbations (CSPs) discussed in the report "Structural and Dynamic Analysis of Hsp70 NBD and Adenosine Derived Inhibitor VER155-008: Implications for Allosteric Drug Design".
The peak lists are provided in three separate Microsoft Excel (.xlsx) files for easy viewing, as well as in NMR Exchange Format (.nef) and CCPNmr XML format (.xml) for compatibility with NMR analysis software.

本数据集包含人类热休克蛋白70（Hsp70）核苷酸结合结构域（Nucleotide Binding Domain, NBD，残基1-381）的二维¹H-¹⁵N异核单量子相干谱（2D ¹H-¹⁵N HSQC）主链共振归属数据，共计290个峰。该数据对应处于以下复合物形式的蛋白质：二磷酸腺苷（ADP，参考状态）、腺苷-5'-β,γ-亚氨基三磷酸（AMPPNP，ATP类似物）以及抑制剂VER-155008。
上述共振归属数据通过CCPnmr Analysis软件生成，并用于计算化学位移扰动（Chemical Shift Perturbations, CSPs），相关分析讨论见于研究报告《Hsp70 NBD与腺苷衍生抑制剂VER155-008的结构及动态分析：对变构药物设计的启示》（Structural and Dynamic Analysis of Hsp70 NBD and Adenosine Derived Inhibitor VER155-008: Implications for Allosteric Drug Design）。
峰列表以三份独立的Microsoft Excel（.xlsx）文件提供，便于直观查看；同时还提供了核磁共振交换格式（.nef）与CCPnmr可扩展标记语言格式（.xml），以兼容各类核磁共振分析软件。