###################################
# 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 16595
_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 $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' . . . 16595 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 ALA C C 13 173.5 0.5 . 1 . . . . . 1 ALA C . 16595 1
2 . 1 . 1 1 1 ALA CA C 13 52.0 0.5 . 1 . . . . . 1 ALA CA . 16595 1
3 . 1 . 1 1 1 ALA CB C 13 21.3 0.5 . 1 . . . . . 1 ALA CB . 16595 1
4 . 1 . 1 2 2 VAL C C 13 174.7 0.5 . 1 . . . . . 2 VAL C . 16595 1
5 . 1 . 1 2 2 VAL CA C 13 60.5 0.5 . 1 . . . . . 2 VAL CA . 16595 1
6 . 1 . 1 2 2 VAL CB C 13 36.2 0.5 . 1 . . . . . 2 VAL CB . 16595 1
7 . 1 . 1 2 2 VAL CG1 C 13 22.3 0.5 . 2 . . . . . 2 VAL CG1 . 16595 1
8 . 1 . 1 2 2 VAL CG2 C 13 22.3 0.5 . 2 . . . . . 2 VAL CG2 . 16595 1
9 . 1 . 1 3 3 GLY C C 13 171.5 0.5 . 1 . . . . . 3 GLY C . 16595 1
10 . 1 . 1 3 3 GLY CA C 13 45.5 0.5 . 1 . . . . . 3 GLY CA . 16595 1
11 . 1 . 1 4 4 ILE C C 13 174.5 0.5 . 1 . . . . . 4 ILE C . 16595 1
12 . 1 . 1 4 4 ILE CA C 13 59.6 0.5 . 1 . . . . . 4 ILE CA . 16595 1
13 . 1 . 1 4 4 ILE CB C 13 42.9 0.5 . 1 . . . . . 4 ILE CB . 16595 1
14 . 1 . 1 4 4 ILE CD1 C 13 15.8 0.5 . 1 . . . . . 4 ILE CD1 . 16595 1
15 . 1 . 1 4 4 ILE CG1 C 13 28.7 0.5 . 1 . . . . . 4 ILE CG1 . 16595 1
16 . 1 . 1 4 4 ILE CG2 C 13 18.8 0.5 . 1 . . . . . 4 ILE CG2 . 16595 1
17 . 1 . 1 5 5 GLY C C 13 170.3 0.5 . 1 . . . . . 5 GLY C . 16595 1
18 . 1 . 1 5 5 GLY CA C 13 45.6 0.5 . 1 . . . . . 5 GLY CA . 16595 1
19 . 1 . 1 6 6 ALA C C 13 174.2 0.5 . 1 . . . . . 6 ALA C . 16595 1
20 . 1 . 1 6 6 ALA CA C 13 51.0 0.5 . 1 . . . . . 6 ALA CA . 16595 1
21 . 1 . 1 6 6 ALA CB C 13 23.9 0.5 . 1 . . . . . 6 ALA CB . 16595 1
22 . 1 . 1 7 7 LEU C C 13 174.2 0.5 . 1 . . . . . 7 LEU C . 16595 1
23 . 1 . 1 7 7 LEU CA C 13 53.8 0.5 . 1 . . . . . 7 LEU CA . 16595 1
24 . 1 . 1 7 7 LEU CB C 13 47.5 0.5 . 1 . . . . . 7 LEU CB . 16595 1
25 . 1 . 1 7 7 LEU CD1 C 13 24.4 0.5 . 2 . . . . . 7 LEU CD1 . 16595 1
26 . 1 . 1 7 7 LEU CD2 C 13 24.4 0.5 . 2 . . . . . 7 LEU CD2 . 16595 1
27 . 1 . 1 7 7 LEU CG C 13 27.8 0.5 . 1 . . . . . 7 LEU CG . 16595 1
28 . 1 . 1 8 8 PHE C C 13 173.8 0.5 . 1 . . . . . 8 PHE C . 16595 1
29 . 1 . 1 8 8 PHE CA C 13 56.0 0.5 . 1 . . . . . 8 PHE CA . 16595 1
30 . 1 . 1 8 8 PHE CB C 13 44.3 0.5 . 1 . . . . . 8 PHE CB . 16595 1
31 . 1 . 1 8 8 PHE CD1 C 13 131.1 0.5 . 3 . . . . . 8 PHE CD1 . 16595 1
32 . 1 . 1 8 8 PHE CD2 C 13 131.1 0.5 . 3 . . . . . 8 PHE CD2 . 16595 1
33 . 1 . 1 8 8 PHE CE1 C 13 131.1 0.5 . 3 . . . . . 8 PHE CE1 . 16595 1
34 . 1 . 1 8 8 PHE CE2 C 13 131.1 0.5 . 3 . . . . . 8 PHE CE2 . 16595 1
35 . 1 . 1 8 8 PHE CG C 13 139.7 0.5 . 1 . . . . . 8 PHE CG . 16595 1
36 . 1 . 1 8 8 PHE CZ C 13 131.1 0.5 . 1 . . . . . 8 PHE CZ . 16595 1
37 . 1 . 1 9 9 LEU C C 13 174.7 0.5 . 1 . . . . . 9 LEU C . 16595 1
38 . 1 . 1 9 9 LEU CA C 13 53.6 0.5 . 1 . . . . . 9 LEU CA . 16595 1
39 . 1 . 1 9 9 LEU CB C 13 47.1 0.5 . 1 . . . . . 9 LEU CB . 16595 1
40 . 1 . 1 9 9 LEU CD1 C 13 24.9 0.5 . 2 . . . . . 9 LEU CD1 . 16595 1
41 . 1 . 1 9 9 LEU CD2 C 13 24.9 0.5 . 2 . . . . . 9 LEU CD2 . 16595 1
42 . 1 . 1 9 9 LEU CG C 13 27.6 0.5 . 1 . . . . . 9 LEU CG . 16595 1
43 . 1 . 1 10 10 GLY C C 13 170.7 0.5 . 1 . . . . . 10 GLY C . 16595 1
44 . 1 . 1 10 10 GLY CA C 13 44.8 0.5 . 1 . . . . . 10 GLY CA . 16595 1
45 . 1 . 1 11 11 PHE C C 13 173.3 0.5 . 1 . . . . . 11 PHE C . 16595 1
46 . 1 . 1 11 11 PHE CA C 13 56.5 0.5 . 1 . . . . . 11 PHE CA . 16595 1
47 . 1 . 1 11 11 PHE CB C 13 44.6 0.5 . 1 . . . . . 11 PHE CB . 16595 1
48 . 1 . 1 11 11 PHE CD1 C 13 131.2 0.5 . 3 . . . . . 11 PHE CD1 . 16595 1
49 . 1 . 1 11 11 PHE CD2 C 13 131.2 0.5 . 3 . . . . . 11 PHE CD2 . 16595 1
50 . 1 . 1 11 11 PHE CE1 C 13 131.2 0.5 . 3 . . . . . 11 PHE CE1 . 16595 1
51 . 1 . 1 11 11 PHE CE2 C 13 131.2 0.5 . 3 . . . . . 11 PHE CE2 . 16595 1
52 . 1 . 1 11 11 PHE CG C 13 140.0 0.5 . 1 . . . . . 11 PHE CG . 16595 1
53 . 1 . 1 11 11 PHE CZ C 13 131.2 0.5 . 1 . . . . . 11 PHE CZ . 16595 1
54 . 1 . 1 12 12 LEU C C 13 174.4 0.5 . 1 . . . . . 12 LEU C . 16595 1
55 . 1 . 1 12 12 LEU CA C 13 53.7 0.5 . 1 . . . . . 12 LEU CA . 16595 1
56 . 1 . 1 12 12 LEU CB C 13 47.1 0.5 . 1 . . . . . 12 LEU CB . 16595 1
57 . 1 . 1 12 12 LEU CG C 13 27.6 0.5 . 1 . . . . . 12 LEU CG . 16595 1
58 . 1 . 1 13 13 GLY C C 13 171.4 0.5 . 1 . . . . . 13 GLY C . 16595 1
59 . 1 . 1 13 13 GLY CA C 13 45.6 0.5 . 1 . . . . . 13 GLY CA . 16595 1
60 . 1 . 1 14 14 ALA C C 13 174.9 0.5 . 1 . . . . . 14 ALA C . 16595 1
61 . 1 . 1 14 14 ALA CA C 13 51.8 0.5 . 1 . . . . . 14 ALA CA . 16595 1
62 . 1 . 1 14 14 ALA CB C 13 24.3 0.5 . 1 . . . . . 14 ALA CB . 16595 1
63 . 1 . 1 15 15 ALA C C 13 175.6 0.5 . 1 . . . . . 15 ALA C . 16595 1
64 . 1 . 1 15 15 ALA CA C 13 52.0 0.5 . 1 . . . . . 15 ALA CA . 16595 1
65 . 1 . 1 15 15 ALA CB C 13 24.6 0.5 . 1 . . . . . 15 ALA CB . 16595 1
66 . 1 . 1 16 16 GLY C C 13 172.4 0.5 . 1 . . . . . 16 GLY C . 16595 1
67 . 1 . 1 16 16 GLY CA C 13 45.5 0.5 . 1 . . . . . 16 GLY CA . 16595 1
68 . 1 . 1 21 21 ALA C C 13 176.7 0.5 . 1 . . . . . 21 ALA C . 16595 1
69 . 1 . 1 21 21 ALA CA C 13 52.3 0.5 . 1 . . . . . 21 ALA CA . 16595 1
70 . 1 . 1 21 21 ALA CB C 13 18.9 0.5 . 1 . . . . . 21 ALA CB . 16595 1
stop_
save_