###################################
# 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 30364
_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 $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-15N HSQC' . . . 30364 1
2 '2D 1H-1H TOCSY' . . . 30364 1
3 '2D 1H-1H NOESY' . . . 30364 1
4 '2D 1H-1H NOESY' . . . 30364 1
5 '2D 1H-1H TOCSY' . . . 30364 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.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 DHI H H 1 7.912 0.01 . . . . . . A 1 DHI H1 . 30364 1
2 . 1 1 1 1 DHI N N 15 118.411 0.00 . . . . . . A 1 DHI N . 30364 1
3 . 1 1 1 1 DHI HA H 1 4.654 0.00 . . . . . . A 1 DHI HA . 30364 1
4 . 1 1 1 1 DHI HB2 H 1 2.797 0.00 . . . . . . A 1 DHI HB2 . 30364 1
5 . 1 1 1 1 DHI HB3 H 1 2.721 0.00 . . . . . . A 1 DHI HB3 . 30364 1
6 . 1 1 1 1 DHI HD2 H 1 6.944 0.00 . . . . . . A 1 DHI HD2 . 30364 1
7 . 1 1 1 1 DHI HE1 H 1 8.259 0.00 . . . . . . A 1 DHI HE1 . 30364 1
8 . 1 1 2 2 PRO HA H 1 4.065 0.01 . . . . . . A 2 PRO HA . 30364 1
9 . 1 1 2 2 PRO HB2 H 1 1.982 0.00 . . . . . . A 2 PRO HB2 . 30364 1
10 . 1 1 2 2 PRO HB3 H 1 1.982 0.00 . . . . . . A 2 PRO HB3 . 30364 1
11 . 1 1 2 2 PRO HG2 H 1 1.762 0.00 . . . . . . A 2 PRO HG2 . 30364 1
12 . 1 1 2 2 PRO HG3 H 1 1.590 0.01 . . . . . . A 2 PRO HG3 . 30364 1
13 . 1 1 2 2 PRO HD2 H 1 3.330 0.00 . . . . . . A 2 PRO HD2 . 30364 1
14 . 1 1 2 2 PRO HD3 H 1 2.942 0.00 . . . . . . A 2 PRO HD3 . 30364 1
15 . 1 1 3 3 DAS H H 1 8.607 0.01 . . . . . . A 3 DAS H . 30364 1
16 . 1 1 3 3 DAS N N 15 121.892 0.00 . . . . . . A 3 DAS N . 30364 1
17 . 1 1 3 3 DAS HA H 1 4.487 0.00 . . . . . . A 3 DAS HA . 30364 1
18 . 1 1 3 3 DAS HB3 H 1 2.616 0.00 . . . . . . A 3 DAS HB3 . 30364 1
19 . 1 1 4 4 DGN H H 1 8.297 0.01 . . . . . . A 4 DGN H . 30364 1
20 . 1 1 4 4 DGN N N 15 120.938 0.00 . . . . . . A 4 DGN N . 30364 1
21 . 1 1 4 4 DGN HA H 1 3.864 0.00 . . . . . . A 4 DGN HA . 30364 1
22 . 1 1 4 4 DGN HB3 H 1 1.911 0.00 . . . . . . A 4 DGN HB3 . 30364 1
23 . 1 1 4 4 DGN HE21 H 1 7.296 0.02 . . . . . . A 4 DGN HE21 . 30364 1
24 . 1 1 4 4 DGN HE22 H 1 6.649 0.02 . . . . . . A 4 DGN HE22 . 30364 1
25 . 1 1 4 4 DGN HG3 H 1 2.099 0.00 . . . . . . A 4 DGN HG3 . 30364 1
26 . 1 1 4 4 DGN NE2 N 15 113.237 0.02 . . . . . . A 4 DGN NE2 . 30364 1
27 . 1 1 5 5 DSN H H 1 7.299 0.01 . . . . . . A 5 DSN H . 30364 1
28 . 1 1 5 5 DSN N N 15 109.923 0.00 . . . . . . A 5 DSN N . 30364 1
29 . 1 1 5 5 DSN HA H 1 4.084 0.00 . . . . . . A 5 DSN HA . 30364 1
30 . 1 1 5 5 DSN HB2 H 1 3.726 0.00 . . . . . . A 5 DSN HB2 . 30364 1
31 . 1 1 5 5 DSN HB3 H 1 3.635 0.00 . . . . . . A 5 DSN HB3 . 30364 1
32 . 1 1 6 6 DGL H H 1 8.622 0.01 . . . . . . A 6 DGL H . 30364 1
33 . 1 1 6 6 DGL N N 15 122.464 0.00 . . . . . . A 6 DGL N . 30364 1
34 . 1 1 6 6 DGL HA H 1 4.215 0.00 . . . . . . A 6 DGL HA . 30364 1
35 . 1 1 6 6 DGL HB3 H 1 1.762 0.00 . . . . . . A 6 DGL HB3 . 30364 1
36 . 1 1 6 6 DGL HG3 H 1 2.201 0.00 . . . . . . A 6 DGL HG3 . 30364 1
37 . 1 1 7 7 PRO HA H 1 4.163 0.00 . . . . . . A 7 PRO HA . 30364 1
38 . 1 1 7 7 PRO HB2 H 1 1.934 0.00 . . . . . . A 7 PRO HB2 . 30364 1
39 . 1 1 7 7 PRO HB3 H 1 1.934 0.00 . . . . . . A 7 PRO HB3 . 30364 1
40 . 1 1 7 7 PRO HG2 H 1 1.752 0.00 . . . . . . A 7 PRO HG2 . 30364 1
41 . 1 1 7 7 PRO HG3 H 1 1.622 0.00 . . . . . . A 7 PRO HG3 . 30364 1
42 . 1 1 7 7 PRO HD2 H 1 3.784 0.00 . . . . . . A 7 PRO HD2 . 30364 1
43 . 1 1 7 7 PRO HD3 H 1 3.382 0.00 . . . . . . A 7 PRO HD3 . 30364 1
stop_
save_