Structure Calculation and Validation

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  1. Constraints
    1. Distance (NOE, H-bond, distance calibration, NOE averaging, stereospecific assignments, PRE)
    2. Dihedral angle (J-coupling, chemical shifts)
    3. Orientational constraints (RDC, PRE)
  2. Advanced approaches to derive structural information
    1. SAXS
  3. Computational methods
  4. Assignment of NOESY peaklists and structure calculation
  5. Structure validation and quality assessment
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