Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
614971 | 5j05 RC | 30045 | cing | 1-original | 2 | STAR | chemical shift |
#
# Everything from a hash-character ('#') to the end of a line is
# a comment that is ignored. This is an example of a comment.
#
loop_
_Atom_chem_shift.ID # Row number
_Atom_chem_shift.Entity_assembly_ID # Defines the polymer chain
_Atom_chem_shift.Comp_index_ID # Residue number
_Atom_chem_shift.Comp_ID # Residue label
_Atom_chem_shift.Atom_ID # Atom name
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code # For the meaning of this , see above.
#
# Entity Comp Atom Assign. Atom
# Assembly index Comp Atom Atom isot. Val fig. of Ambig.
# ID ID ID ID ID type num Val err merit code
#----------------------------------------------------------------------------
#
#
1 1 1 GLY HA2 H 1 4.065 0.02 . 2
2 1 1 GLY HA3 H 1 4.192 0.02 . 2
3 1 1 GLY CA C 13 44.876 0.30 . 1
4 1 2 SER H H 1 8.933 0.02 . 1
5 1 2 SER HA H 1 4.653 0.02 . 1
6 1 2 SER HB2 H 1 4.057 0.02 . 2
7 1 2 SER HB3 H 1 4.071 0.02 . 2
8 1 2 SER C C 13 175.530 0.30 . 1
9 1 2 SER CA C 13 57.162 0.30 . 1
10 1 2 SER CB C 13 65.356 0.30 . 1
11 1 2 SER N N 15 118.407 0.30 . 1
stop_ # This marks the end of the table.
# ---- (This example only shows the first two residues in the list.) ---
remarks
# A Minimal example with some optional columns removed
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
1 1 1 GLY HA2 1 4.065 0.02
2 1 1 GLY HA3 1 4.192 0.02
3 1 1 GLY CA 13 44.876 0.30
4 1 2 SER H 1 8.933 0.02
5 1 2 SER HA 1 4.653 0.02
6 1 2 SER HB2 1 4.057 0.02
7 1 2 SER HB3 1 4.071 0.02
8 1 2 SER C 13 175.530 0.30
9 1 2 SER CA 13 57.162 0.30
10 1 2 SER CB 13 65.356 0.30
11 1 2 SER N 15 118.407 0.30
stop_