The format for input supported by MANI-LACS is shown
below. The input format is the portion of the NMR-STAR file format
that describes the chemical shift information. The NMR-STAR
file (http://www.bmrb.wisc.edu) MUST contain both sequence and shifts.
Please do not remove any of the words:
_Mol_residue_sequence , loop
_Chem_shift_ambiguity_code, etc..
can NOT be removed
The example below illustrates the fomat.
...........................................................
_Mol_residue_sequence
;
MKSTGIVRKVDELGRVVIPI
ELRRTLGIAEKDALEIYVDD
EKIILKKYKPNMT
;
loop_
_Residue_seq_code
_Residue_label
_Chem_shift_ambiguity_code
4 2 LYS HG2 H 1.61 . 2
5 2 LYS HD2 H 1.40 . 2
6 2 LYS HE2 H 2.91 . 2
stop_
...................