###################################
# 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 25004
_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 13C-13C spin diffusion' . . . 25004 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 LYS C C 13 172.9 . . . . . . . 16 K C . 25004 1
2 . 1 1 2 2 LYS CA C 13 52.2 . . . . . . . 16 K CA . 25004 1
3 . 1 1 2 2 LYS CB C 13 34.5 . . . . . . . 16 K CB . 25004 1
4 . 1 1 3 3 LEU C C 13 175.1 . . . . . . . 17 L C . 25004 1
5 . 1 1 3 3 LEU CA C 13 52.0 . . . . . . . 17 L CA . 25004 1
6 . 1 1 3 3 LEU CB C 13 43.1 . . . . . . . 17 L CB . 25004 1
7 . 1 1 5 5 PHE C C 13 173.8 . . . . . . . 19 F C . 25004 1
8 . 1 1 5 5 PHE CA C 13 52.9 . . . . . . . 19 F CA . 25004 1
9 . 1 1 5 5 PHE CB C 13 41.9 . . . . . . . 19 F CB . 25004 1
10 . 1 1 6 6 PHE C C 13 173.6 . . . . . . . 20 F C . 25004 1
11 . 1 1 6 6 PHE CA C 13 52.8 . . . . . . . 20 F CA . 25004 1
12 . 1 1 6 6 PHE CB C 13 42.7 . . . . . . . 20 F CB . 25004 1
13 . 1 1 7 7 ALA C C 13 175.0 . . . . . . . 21 A C . 25004 1
14 . 1 1 7 7 ALA CA C 13 48.0 . . . . . . . 21 A CA . 25004 1
15 . 1 1 7 7 ALA CB C 13 21.3 . . . . . . . 21 A CB . 25004 1
16 . 1 1 8 8 GLU C C 13 174.5 . . . . . . . 22 E C . 25004 1
17 . 1 1 8 8 GLU CA C 13 57.6 . . . . . . . 22 E CA . 25004 1
18 . 1 1 8 8 GLU CB C 13 29.1 . . . . . . . 22 E CB . 25004 1
19 . 1 1 9 9 ASN C C 13 173.8 . . . . . . . 23 N C . 25004 1
20 . 1 1 9 9 ASN CA C 13 51.0 . . . . . . . 23 N CA . 25004 1
21 . 1 1 9 9 ASN CB C 13 41.4 . . . . . . . 23 N CB . 25004 1
22 . 1 1 10 10 VAL C C 13 174.8 . . . . . . . 24 V C . 25004 1
23 . 1 1 10 10 VAL CA C 13 60.8 . . . . . . . 24 V CA . 25004 1
24 . 1 1 10 10 VAL CB C 13 33.4 . . . . . . . 24 V CB . 25004 1
25 . 1 1 14 14 LYS C C 13 174.8 . . . . . . . 28 K C . 25004 1
26 . 1 1 14 14 LYS CA C 13 55.9 . . . . . . . 28 K CA . 25004 1
27 . 1 1 14 14 LYS CB C 13 29.2 . . . . . . . 28 K CB . 25004 1
28 . 1 1 15 15 GLY C C 13 171.2 . . . . . . . 29 G C . 25004 1
29 . 1 1 15 15 GLY CA C 13 43.8 . . . . . . . 29 G CA . 25004 1
30 . 1 1 16 16 ALA C C 13 174.7 . . . . . . . 30 A C . 25004 1
31 . 1 1 16 16 ALA CA C 13 47.3 . . . . . . . 30 A CA . 25004 1
32 . 1 1 16 16 ALA CB C 13 19.2 . . . . . . . 30 A CB . 25004 1
33 . 1 1 17 17 ILE C C 13 174.0 . . . . . . . 31 I C . 25004 1
34 . 1 1 17 17 ILE CA C 13 57.2 . . . . . . . 31 I CA . 25004 1
35 . 1 1 17 17 ILE CB C 13 38.8 . . . . . . . 31 I CB . 25004 1
36 . 1 1 18 18 ILE C C 13 173.9 . . . . . . . 32 I C . 25004 1
37 . 1 1 18 18 ILE CA C 13 56.1 . . . . . . . 32 I CA . 25004 1
38 . 1 1 18 18 ILE CB C 13 40.5 . . . . . . . 32 I CB . 25004 1
39 . 1 1 19 19 GLY C C 13 170.9 . . . . . . . 33 G C . 25004 1
40 . 1 1 19 19 GLY CA C 13 42.4 . . . . . . . 33 G CA . 25004 1
41 . 1 1 20 20 LEU C C 13 174.8 . . . . . . . 34 L C . 25004 1
42 . 1 1 20 20 LEU CA C 13 51.6 . . . . . . . 34 L CA . 25004 1
43 . 1 1 20 20 LEU CB C 13 43.6 . . . . . . . 34 L CB . 25004 1
44 . 1 1 21 21 MET C C 13 172.7 . . . . . . . 35 M C . 25004 1
45 . 1 1 21 21 MET CA C 13 51.3 . . . . . . . 35 M CA . 25004 1
46 . 1 1 21 21 MET CB C 13 34.0 . . . . . . . 35 M CB . 25004 1
47 . 1 1 22 22 VAL C C 13 174.4 . . . . . . . 36 V C . 25004 1
48 . 1 1 22 22 VAL CA C 13 58.3 . . . . . . . 36 V CA . 25004 1
49 . 1 1 22 22 VAL CB C 13 33.0 . . . . . . . 36 V CB . 25004 1
50 . 1 1 23 23 GLY C C 13 171.4 . . . . . . . 37 G C . 25004 1
51 . 1 1 23 23 GLY CA C 13 43.7 . . . . . . . 37 G CA . 25004 1
52 . 1 1 24 24 GLY C C 13 169.7 . . . . . . . 38 G C . 25004 1
53 . 1 1 24 24 GLY CA C 13 42.3 . . . . . . . 38 G CA . 25004 1
54 . 1 1 25 25 VAL C C 13 172.9 . . . . . . . 39 V C . 25004 1
55 . 1 1 25 25 VAL CA C 13 58.2 . . . . . . . 39 V CA . 25004 1
56 . 1 1 25 25 VAL CB C 13 32.4 . . . . . . . 39 V CB . 25004 1
57 . 1 1 26 26 VAL C C 13 169.0 . . . . . . . 40 V C . 25004 1
58 . 1 1 26 26 VAL CA C 13 60.0 . . . . . . . 40 V CA . 25004 1
59 . 1 1 26 26 VAL CB C 13 33.9 . . . . . . . 40 V CB . 25004 1
stop_
save_