Chemical shift assignment in NMRSTAR (BMRB) 3.1 format

· More description can be found at the BMRB website.

· The probability of assignments are designated at ‘_Atom_chem_shift.Assign_fig_of_merit’

· This file can be readily converted to other formats by CCPN software or BMRB tools.

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_Atom_chem_shift.ID

_Atom_chem_shift.Assembly_atom_ID

_Atom_chem_shift.Entity_assembly_ID

_Atom_chem_shift.Entity_ID

_Atom_chem_shift.Comp_index_ID

_Atom_chem_shift.Seq_ID

_Atom_chem_shift.Comp_ID

_Atom_chem_shift.Atom_ID

_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

_Atom_chem_shift.Occupancy

_Atom_chem_shift.Resonance_ID

_Atom_chem_shift.Auth_entity_assembly_ID

_Atom_chem_shift.Auth_asym_ID

_Atom_chem_shift.Auth_seq_ID

_Atom_chem_shift.Auth_comp_ID

_Atom_chem_shift.Auth_atom_ID

_Atom_chem_shift.PDB_record_ID

_Atom_chem_shift.PDB_model_num

_Atom_chem_shift.PDB_strand_ID

_Atom_chem_shift.PDB_ins_code

_Atom_chem_shift.PDB_residue_no

_Atom_chem_shift.PDB_residue_name

_Atom_chem_shift.PDB_atom_name

_Atom_chem_shift.Original_PDB_strand_ID

_Atom_chem_shift.Original_PDB_residue_no

_Atom_chem_shift.Original_PDB_residue_name

_Atom_chem_shift.Original_PDB_atom_name

_Atom_chem_shift.Details

_Atom_chem_shift.Entry_ID

_Atom_chem_shift.Assigned_chem_shift_list_ID

1 . 1 1 1 1 MET C C 13 174.659 0.20 0.818 1 . . . . . . . . . . . . . . . . . . . . .

2 . 1 1 1 1 MET CA C 13 55.400 0.20 1.000 1 . . . . . . . . . . . . . . . . . . . . .

3 . 1 1 1 1 MET CB C 13 29.000 0.20 0.999 1 . . . . . . . . . . . . . . . . . . . . .

4 . 1 1 2 2 GLN N N 15 122.859 0.20 0.818 1 . . . . . . . . . . . . . . . . . . . . .

5 . 1 1 2 2 GLN N N 15 119.954 0.20 0.181 1 . . . . . . . . . . . . . . . . . . . . .

6 . 1 1 2 2 GLN H H 1 8.602 0.02 0.818 1 . . . . . . . . . . . . . . . . . . . . .

7 . 1 1 2 2 GLN H H 1 8.452 0.02 0.181 1 . . . . . . . . . . . . . . . . . . . . .

8 . 1 1 2 2 GLN C C 13 173.640 0.20 0.998 1 . . . . . . . . . . . . . . . . . . . . .

9 . 1 1 2 2 GLN CA C 13 55.600 0.20 0.999 1 . . . . . . . . . . . . . . . . . . . . .

10 . 1 1 2 2 GLN CB C 13 29.300 0.20 0.994 1 . . . . . . . . . . . . . . . . . . . . .

11 . 1 1 3 3 ILE N N 15 125.334 0.20 0.998 1 . . . . . . . . . . . . . . . . . . . . .

12 . 1 1 3 3 ILE H H 1 8.210 0.02 0.998 1 . . . . . . . . . . . . . . . . . . . . .

13 . 1 1 3 3 ILE C C 13 172.250 0.20 1.000 1 . . . . . . . . . . . . . . . . . . . . .

14 . 1 1 3 3 ILE CA C 13 59.500 0.20 0.999 1 . . . . . . . . . . . . . . . . . . . . .

15 . 1 1 3 3 ILE CB C 13 41.900 0.20 0.998 1 . . . . . . . . . . . . . . . . . . . . .

16 . 1 1 4 4 PHE N N 15 118.520 0.20 1.000 1 . . . . . . . . . . . . . . . . . . . . .

17 . 1 1 4 4 PHE H H 1 8.498 0.02 1.000 1 . . . . . . . . . . . . . . . . . . . . .

18 . 1 1 4 4 PHE C C 13 175.114 0.20 1.000 1 . . . . . . . . . . . . . . . . . . . . .

19 . 1 1 4 4 PHE CA C 13 54.900 0.20 1.000 1 . . . . . . . . . . . . . . . . . . . . .

20 . 1 1 4 4 PHE CB C 13 41.200 0.20 1.000 1 . . . . . . . . . . . . . . . . . . . . .

21 . 1 1 5 5 VAL N N 15 121.317 0.20 1.000 1 . . . . . . . . . . . . . . . . . . . . .

22 . 1 1 5 5 VAL H H 1 9.203 0.02 1.000 1 . . . . . . . . . . . . . . . . . . . . .

23 . 1 1 5 5 VAL C C 13 174.714 0.20 1.000 1 . . . . . . . . . . . . . . . . . . . . .

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