guidelines for NMR

Standard experimental tables for biological NMR

Each NMR structural article will normally include a standard experimental table as shown below.

A template for the tables can be found in our Word template at

Helpful notes and/or examples are given in the second column.

Table 1
NMR and refinement statistics

Distance constraints
Total NOE
Sequential (|i - j| = 1)
Non-sequential (|i - j| >1) Include as appropriate for complexes
Medium range (|i - j| < 4)
Long range (|i - j| = > 5)
Intermolecular Include protein-nucleic acid intermolecular as appropriate
Hydrogen bond constraints
Total dihedral angle restraints
Nucleic acid Include as appropriate
Base pair
Sugar pucker
Based on A-form geometry
Residual dipolar coupling (RDC) constraints Include if used
Structure statistics
Violations (mean and s.d.)
Distance constraints (Å)
Dihedral angle constraints (°)
Max. dihedral angle violation (°)
Max. distance constraint violation (Å)
Deviations from idealized geometry
Bond lengths (Å)
Bond angles (°)
Impropers (°)
Average pairwise r.m.s. deviation (Å) Please indicate the number of structures used in r.m.s. deviation calculations
Heavy atoms
Nucleic acid Include as appropriate
All nucleic acid heavy atoms
Nucleic acid binding site
All nucleotides e.g. special parts, apical, tetraloop, symmetric bulge
All complex heavy atoms (C, N, O, P)
Protein and nucleic acid heavy atoms
Ramachandran plot Cite the source of restraints/definitions
Favoured regions (%)
Outliers (%)
Unmodelled/incomplete residues (%)
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