###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 18199
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D DQF-COSY' . . . 18199 1
2 '2D 1H-1H TOCSY' . . . 18199 1
3 '2D 1H-1H NOESY' . . . 18199 1
stop_
loop_
_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.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 2 2 DG H1' H 1 6.135 . . . . . . A 2 DG H1' . 18199 1
2 . 1 1 2 2 DG H2' H 1 2.749 . . . . . . A 2 DG H2' . 18199 1
3 . 1 1 2 2 DG H2'' H 1 2.921 . . . . . . A 2 DG H2'' . 18199 1
4 . 1 1 2 2 DG H8 H 1 8.095 . . . . . . A 2 DG H8 . 18199 1
5 . 1 1 3 3 DC H1' H 1 6.45 . . . . . . A 3 DC H1' . 18199 1
6 . 1 1 3 3 DC H2' H 1 2.15 . . . . . . A 3 DC H2' . 18199 1
7 . 1 1 3 3 DC H2'' H 1 2.394 . . . . . . A 3 DC H2'' . 18199 1
8 . 1 1 3 3 DC H5 H 1 5.693 . . . . . . A 3 DC H5 . 18199 1
9 . 1 1 3 3 DC H6 H 1 7.753 . . . . . . A 3 DC H6 . 18199 1
10 . 1 1 4 4 DC H1' H 1 6.287 . . . . . . A 4 DC H1' . 18199 1
11 . 1 1 4 4 DC H2' H 1 1.84 . . . . . . A 4 DC H2' . 18199 1
12 . 1 1 4 4 DC H2'' H 1 2.417 . . . . . . A 4 DC H2'' . 18199 1
13 . 1 1 4 4 DC H5 H 1 5.873 . . . . . . A 4 DC H5 . 18199 1
14 . 1 1 4 4 DC H6 H 1 7.544 . . . . . . A 4 DC H6 . 18199 1
15 . 1 1 5 5 DG H1' H 1 5.945 . . . . . . A 5 DG H1' . 18199 1
16 . 1 1 5 5 DG H2' H 1 2.836 . . . . . . A 5 DG H2' . 18199 1
17 . 1 1 5 5 DG H2'' H 1 2.647 . . . . . . A 5 DG H2'' . 18199 1
18 . 1 1 5 5 DG H3' H 1 5.024 . . . . . . A 5 DG H3' . 18199 1
19 . 1 1 5 5 DG H8 H 1 8.29 . . . . . . A 5 DG H8 . 18199 1
20 . 1 1 6 6 DC H1' H 1 5.875 . . . . . . A 6 DC H1' . 18199 1
21 . 1 1 6 6 DC H2' H 1 1.657 . . . . . . A 6 DC H2' . 18199 1
22 . 1 1 6 6 DC H2'' H 1 2.225 . . . . . . A 6 DC H2'' . 18199 1
23 . 1 1 6 6 DC H5 H 1 5.423 . . . . . . A 6 DC H5 . 18199 1
24 . 1 1 6 6 DC H6 H 1 7.405 . . . . . . A 6 DC H6 . 18199 1
25 . 1 1 7 7 DA H8 H 1 7.915 . . . . . . A 7 DA H8 . 18199 1
26 . 1 1 8 8 DG H1' H 1 5.39 . . . . . . A 8 DG H1' . 18199 1
27 . 1 1 8 8 DG H2' H 1 2.21 . . . . . . A 8 DG H2' . 18199 1
28 . 1 1 8 8 DG H2'' H 1 2.723 . . . . . . A 8 DG H2'' . 18199 1
29 . 1 1 8 8 DG H3' H 1 5.099 . . . . . . A 8 DG H3' . 18199 1
30 . 1 1 8 8 DG H8 H 1 8.079 . . . . . . A 8 DG H8 . 18199 1
31 . 1 1 9 9 DT H1' H 1 6.724 . . . . . . A 9 DT H1' . 18199 1
32 . 1 1 9 9 DT H2' H 1 2.563 . . . . . . A 9 DT H2' . 18199 1
33 . 1 1 9 9 DT H2'' H 1 2.482 . . . . . . A 9 DT H2'' . 18199 1
34 . 1 1 9 9 DT H3' H 1 5.222 . . . . . . A 9 DT H3' . 18199 1
35 . 1 1 9 9 DT H6 H 1 8.018 . . . . . . A 9 DT H6 . 18199 1
36 . 1 1 9 9 DT H71 H 1 2.232 . . . . . . A 9 DT H71 . 18199 1
37 . 1 1 9 9 DT H72 H 1 2.232 . . . . . . A 9 DT H72 . 18199 1
38 . 1 1 9 9 DT H73 H 1 2.232 . . . . . . A 9 DT H73 . 18199 1
39 . 1 1 10 10 DG H1' H 1 6.273 . . . . . . A 10 DG H1' . 18199 1
40 . 1 1 10 10 DG H2' H 1 2.236 . . . . . . A 10 DG H2' . 18199 1
41 . 1 1 10 10 DG H2'' H 1 2.313 . . . . . . A 10 DG H2'' . 18199 1
42 . 1 1 10 10 DG H3' H 1 4.562 . . . . . . A 10 DG H3' . 18199 1
43 . 1 1 10 10 DG H8 H 1 7.652 . . . . . . A 10 DG H8 . 18199 1
44 . 1 1 11 11 DC H1' H 1 5.726 . . . . . . A 11 DC H1' . 18199 1
45 . 1 1 11 11 DC H2' H 1 2.406 . . . . . . A 11 DC H2' . 18199 1
46 . 1 1 11 11 DC H2'' H 1 2.594 . . . . . . A 11 DC H2'' . 18199 1
47 . 1 1 11 11 DC H5 H 1 5.328 . . . . . . A 11 DC H5 . 18199 1
48 . 1 1 11 11 DC H6 H 1 7.656 . . . . . . A 11 DC H6 . 18199 1
stop_
save_