NMR-STAR chemical shifts loop begins with loop_,
followed by list of column names (loop tags), followed by data rows
(table of space-separated values, one atom per line), and ends with
stop_. Empty data values are denoted
by a dot. Comments start with '#' (hash) and continue to end of line.
NMR-STAR 2.1 tags for chemical shifts loop are
| _Atom_shift_assign_ID | row number |
| _Residue_seq_code | residue sequence code |
| _Residue_label | residue label |
| _Atom_name | atom name |
| _Atom_type | atom type |
| _Chem_shift_value | chemical shift value |
| _Chem_shift_value_error | chemical shift value error |
| _Chem_shift_ambiguity_code | chemical shift ambiguity code |
STARch will not read an entire NMR-STAR file. The input
must be chemical shifts loop only, starting with loop_
and ending with stop_.
Lines starting with '#' (NMR-STAR comments) are ignored. Inline comments are ignored in the header (tags) section, inline comments in loop rows are copied to the output.
Check tag names. NMR-STAR syntax allows any kind of whitespace (not necessarily newline) between loop identifier, tags, and first data row. This makes parsing the input somewhat difficult as there is no clear indication where tags end and data rows start.
STARch assumes that first token that is not a loop tag is the start of first data row. This means that STARch cannot reliably identify invalid tags: a mis-typed tag, for example, will be assumed to be a data value; this will cause an error later on, but error message will be incorrect.
Last updated: Fri Aug 23 17:18:50 CDT 2002