###################################
# 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_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 34467
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 $chem_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 1H-13C HSQC' . . . 34467 1
2 '2D 1H-15N HSQC' . . . 34467 1
3 '1D 1H-15N HSQC' . . . 34467 1
4 '2D NOESY' . . . 34467 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID
_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 1 1 DT H3 H 1 11.050 0.000 1 1 . . . . A 1 DT H3 . 34467 1
2 . 1 . 1 1 1 DT H6 H 1 7.420 0.000 1 1 . . . . A 1 DT H6 . 34467 1
3 . 1 . 1 1 1 DT H71 H 1 1.630 0.000 1 1 . . . . A 1 DT H71 . 34467 1
4 . 1 . 1 1 1 DT H72 H 1 1.630 0.000 1 1 . . . . A 1 DT H72 . 34467 1
5 . 1 . 1 1 1 DT H73 H 1 1.630 0.000 1 1 . . . . A 1 DT H73 . 34467 1
6 . 1 . 1 2 2 DA H61 H 1 9.820 0.000 1 1 . . . . A 2 DA H61 . 34467 1
7 . 1 . 1 2 2 DA H62 H 1 10.830 0.000 1 1 . . . . A 2 DA H62 . 34467 1
8 . 1 . 1 3 3 DG H1 H 1 10.830 0.000 1 1 . . . . A 3 DG H1 . 34467 1
9 . 1 . 1 4 4 DG H1 H 1 10.700 0.000 1 1 . . . . A 4 DG H1 . 34467 1
10 . 1 . 1 5 5 DG H1 H 1 10.160 0.000 1 1 . . . . A 5 DG H1 . 34467 1
11 . 1 . 1 6 6 DT H3 H 1 11.210 0.000 1 1 . . . . A 6 DT H3 . 34467 1
12 . 1 . 1 6 6 DT H6 H 1 7.910 0.000 1 1 . . . . A 6 DT H6 . 34467 1
13 . 1 . 1 6 6 DT H71 H 1 1.980 0.000 1 1 . . . . A 6 DT H71 . 34467 1
14 . 1 . 1 6 6 DT H72 H 1 1.980 0.000 1 1 . . . . A 6 DT H72 . 34467 1
15 . 1 . 1 6 6 DT H73 H 1 1.980 0.000 1 1 . . . . A 6 DT H73 . 34467 1
16 . 1 . 1 7 7 DT H3 H 1 10.580 0.000 1 1 . . . . A 7 DT H3 . 34467 1
17 . 1 . 1 7 7 DT H6 H 1 7.190 0.000 1 1 . . . . A 7 DT H6 . 34467 1
18 . 1 . 1 7 7 DT H71 H 1 1.680 0.000 1 1 . . . . A 7 DT H71 . 34467 1
19 . 1 . 1 7 7 DT H72 H 1 1.680 0.000 1 1 . . . . A 7 DT H72 . 34467 1
20 . 1 . 1 7 7 DT H73 H 1 1.680 0.000 1 1 . . . . A 7 DT H73 . 34467 1
21 . 1 . 1 8 8 DA H61 H 1 6.800 0.000 1 1 . . . . A 8 DA H61 . 34467 1
22 . 1 . 1 8 8 DA H62 H 1 7.630 0.000 1 1 . . . . A 8 DA H62 . 34467 1
23 . 1 . 1 9 9 DG H1 H 1 11.210 0.000 1 1 . . . . A 9 DG H1 . 34467 1
24 . 1 . 1 10 10 DG H1 H 1 12.090 0.000 1 1 . . . . A 10 DG H1 . 34467 1
25 . 1 . 1 11 11 DG H1 H 1 12.780 0.000 1 1 . . . . A 11 DG H1 . 34467 1
26 . 1 . 1 12 12 DT H3 H 1 12.600 0.000 1 1 . . . . A 12 DT H3 . 34467 1
27 . 1 . 1 12 12 DT H6 H 1 7.570 0.000 1 1 . . . . A 12 DT H6 . 34467 1
28 . 1 . 1 12 12 DT H71 H 1 1.630 0.000 1 1 . . . . A 12 DT H71 . 34467 1
29 . 1 . 1 12 12 DT H72 H 1 1.630 0.000 1 1 . . . . A 12 DT H72 . 34467 1
30 . 1 . 1 12 12 DT H73 H 1 1.630 0.000 1 1 . . . . A 12 DT H73 . 34467 1
31 . 1 . 1 13 13 DT H3 H 1 10.870 0.000 1 1 . . . . A 13 DT H3 . 34467 1
32 . 1 . 1 13 13 DT H6 H 1 7.370 0.000 1 1 . . . . A 13 DT H6 . 34467 1
33 . 1 . 1 13 13 DT H71 H 1 1.750 0.000 1 1 . . . . A 13 DT H71 . 34467 1
34 . 1 . 1 13 13 DT H72 H 1 1.750 0.000 1 1 . . . . A 13 DT H72 . 34467 1
35 . 1 . 1 13 13 DT H73 H 1 1.750 0.000 1 1 . . . . A 13 DT H73 . 34467 1
36 . 1 . 1 16 16 DG H1 H 1 11.720 0.000 1 1 . . . . A 16 DG H1 . 34467 1
37 . 1 . 1 17 17 DG H1 H 1 13.820 0.000 1 1 . . . . A 17 DG H1 . 34467 1
38 . 1 . 1 18 18 DT H3 H 1 12.090 0.000 1 1 . . . . A 18 DT H3 . 34467 1
39 . 1 . 1 18 18 DT H6 H 1 7.700 0.000 1 1 . . . . A 18 DT H6 . 34467 1
40 . 1 . 1 18 18 DT H71 H 1 1.870 0.000 1 1 . . . . A 18 DT H71 . 34467 1
41 . 1 . 1 18 18 DT H72 H 1 1.870 0.000 1 1 . . . . A 18 DT H72 . 34467 1
42 . 1 . 1 18 18 DT H73 H 1 1.870 0.000 1 1 . . . . A 18 DT H73 . 34467 1
43 . 1 . 1 19 19 DT H3 H 1 14.020 0.000 1 1 . . . . A 19 DT H3 . 34467 1
44 . 1 . 1 19 19 DT H6 H 1 7.720 0.000 1 1 . . . . A 19 DT H6 . 34467 1
45 . 1 . 1 19 19 DT H71 H 1 1.490 0.000 1 1 . . . . A 19 DT H71 . 34467 1
46 . 1 . 1 19 19 DT H72 H 1 1.490 0.000 1 1 . . . . A 19 DT H72 . 34467 1
47 . 1 . 1 19 19 DT H73 H 1 1.490 0.000 1 1 . . . . A 19 DT H73 . 34467 1
48 . 1 . 1 20 20 DA H61 H 1 9.050 0.000 1 1 . . . . A 20 DA H61 . 34467 1
49 . 1 . 1 20 20 DA H62 H 1 11.090 0.000 1 1 . . . . A 20 DA H62 . 34467 1
50 . 1 . 1 21 21 DG H1 H 1 11.460 0.000 1 1 . . . . A 21 DG H1 . 34467 1
stop_
save_