###################################
# 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_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 5136
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 TOCSY 1 $sample_1 . 5136 1
2 DQF-COSY 1 $sample_1 . 5136 1
3 '2D NOESY' 1 $sample_1 . 5136 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 ILE H H 1 7.89 . . 1 . . . . . . . . 5136 1
2 . 1 1 2 2 ILE HA H 1 4.11 . . 1 . . . . . . . . 5136 1
3 . 1 1 2 2 ILE HB H 1 1.64 . . 1 . . . . . . . . 5136 1
4 . 1 1 2 2 ILE HG12 H 1 1.32 . . 2 . . . . . . . . 5136 1
5 . 1 1 2 2 ILE HG13 H 1 1.32 . . 2 . . . . . . . . 5136 1
6 . 1 1 2 2 ILE HG21 H 1 1.00 . . 1 . . . . . . . . 5136 1
7 . 1 1 2 2 ILE HG22 H 1 1.00 . . 1 . . . . . . . . 5136 1
8 . 1 1 2 2 ILE HG23 H 1 1.00 . . 1 . . . . . . . . 5136 1
9 . 1 1 2 2 ILE HD11 H 1 0.72 . . 1 . . . . . . . . 5136 1
10 . 1 1 2 2 ILE HD12 H 1 0.72 . . 1 . . . . . . . . 5136 1
11 . 1 1 2 2 ILE HD13 H 1 0.72 . . 1 . . . . . . . . 5136 1
12 . 1 1 3 3 TRP H H 1 8.09 . . 1 . . . . . . . . 5136 1
13 . 1 1 3 3 TRP HA H 1 4.50 . . 1 . . . . . . . . 5136 1
14 . 1 1 3 3 TRP HB2 H 1 2.98 . . 2 . . . . . . . . 5136 1
15 . 1 1 3 3 TRP HB3 H 1 3.13 . . 2 . . . . . . . . 5136 1
16 . 1 1 3 3 TRP HD1 H 1 7.14 . . 1 . . . . . . . . 5136 1
17 . 1 1 3 3 TRP HE3 H 1 7.54 . . 3 . . . . . . . . 5136 1
18 . 1 1 3 3 TRP HZ2 H 1 6.95 . . 3 . . . . . . . . 5136 1
19 . 1 1 3 3 TRP HZ3 H 1 7.30 . . 3 . . . . . . . . 5136 1
20 . 1 1 3 3 TRP HH2 H 1 7.03 . . 3 . . . . . . . . 5136 1
21 . 1 1 4 4 GLY H H 1 8.23 . . 1 . . . . . . . . 5136 1
22 . 1 1 4 4 GLY HA2 H 1 3.68 . . 2 . . . . . . . . 5136 1
23 . 1 1 4 4 GLY HA3 H 1 3.78 . . 2 . . . . . . . . 5136 1
24 . 1 1 5 5 GLU H H 1 9.00 . . 1 . . . . . . . . 5136 1
25 . 1 1 5 5 GLU HA H 1 4.31 . . 1 . . . . . . . . 5136 1
26 . 1 1 5 5 GLU HB2 H 1 1.82 . . 2 . . . . . . . . 5136 1
27 . 1 1 5 5 GLU HB3 H 1 1.90 . . 2 . . . . . . . . 5136 1
28 . 1 1 5 5 GLU HG2 H 1 2.12 . . 1 . . . . . . . . 5136 1
29 . 1 1 5 5 GLU HG3 H 1 2.12 . . 1 . . . . . . . . 5136 1
30 . 1 1 6 6 SER H H 1 8.00 . . 1 . . . . . . . . 5136 1
31 . 1 1 6 6 SER HA H 1 4.13 . . 1 . . . . . . . . 5136 1
32 . 1 1 6 6 SER HB2 H 1 3.61 . . 1 . . . . . . . . 5136 1
33 . 1 1 6 6 SER HB3 H 1 3.61 . . 1 . . . . . . . . 5136 1
34 . 1 1 7 7 GLY H H 1 8.45 . . 1 . . . . . . . . 5136 1
35 . 1 1 7 7 GLY HA2 H 1 3.60 . . 2 . . . . . . . . 5136 1
36 . 1 1 7 7 GLY HA3 H 1 3.78 . . 2 . . . . . . . . 5136 1
37 . 1 1 8 8 LYS H H 1 7.49 . . 1 . . . . . . . . 5136 1
38 . 1 1 8 8 LYS HA H 1 4.23 . . 1 . . . . . . . . 5136 1
39 . 1 1 8 8 LYS HB2 H 1 1.76 . . 1 . . . . . . . . 5136 1
40 . 1 1 8 8 LYS HB3 H 1 1.76 . . 1 . . . . . . . . 5136 1
41 . 1 1 8 8 LYS HG2 H 1 1.19 . . 2 . . . . . . . . 5136 1
42 . 1 1 8 8 LYS HG3 H 1 1.30 . . 2 . . . . . . . . 5136 1
43 . 1 1 8 8 LYS HD2 H 1 1.49 . . 2 . . . . . . . . 5136 1
44 . 1 1 8 8 LYS HD3 H 1 1.57 . . 2 . . . . . . . . 5136 1
45 . 1 1 8 8 LYS HE2 H 1 2.81 . . 1 . . . . . . . . 5136 1
46 . 1 1 8 8 LYS HE3 H 1 2.81 . . 1 . . . . . . . . 5136 1
47 . 1 1 9 9 LEU H H 1 7.83 . . 1 . . . . . . . . 5136 1
48 . 1 1 9 9 LEU HA H 1 4.13 . . 1 . . . . . . . . 5136 1
49 . 1 1 9 9 LEU HB2 H 1 1.56 . . 2 . . . . . . . . 5136 1
50 . 1 1 9 9 LEU HB3 H 1 1.63 . . 2 . . . . . . . . 5136 1
51 . 1 1 9 9 LEU HG H 1 1.49 . . 1 . . . . . . . . 5136 1
52 . 1 1 9 9 LEU HD11 H 1 0.82 . . 2 . . . . . . . . 5136 1
53 . 1 1 9 9 LEU HD12 H 1 0.82 . . 2 . . . . . . . . 5136 1
54 . 1 1 9 9 LEU HD13 H 1 0.82 . . 2 . . . . . . . . 5136 1
55 . 1 1 9 9 LEU HD21 H 1 0.89 . . 2 . . . . . . . . 5136 1
56 . 1 1 9 9 LEU HD22 H 1 0.89 . . 2 . . . . . . . . 5136 1
57 . 1 1 9 9 LEU HD23 H 1 0.89 . . 2 . . . . . . . . 5136 1
58 . 1 1 10 10 ILE H H 1 7.25 . . 1 . . . . . . . . 5136 1
59 . 1 1 10 10 ILE HA H 1 4.17 . . 1 . . . . . . . . 5136 1
60 . 1 1 10 10 ILE HB H 1 1.65 . . 1 . . . . . . . . 5136 1
61 . 1 1 10 10 ILE HG12 H 1 1.43 . . 1 . . . . . . . . 5136 1
62 . 1 1 10 10 ILE HG13 H 1 1.43 . . 1 . . . . . . . . 5136 1
63 . 1 1 10 10 ILE HG21 H 1 1.01 . . 1 . . . . . . . . 5136 1
64 . 1 1 10 10 ILE HG22 H 1 1.01 . . 1 . . . . . . . . 5136 1
65 . 1 1 10 10 ILE HG23 H 1 1.01 . . 1 . . . . . . . . 5136 1
66 . 1 1 10 10 ILE HD11 H 1 0.81 . . 1 . . . . . . . . 5136 1
67 . 1 1 10 10 ILE HD12 H 1 0.81 . . 1 . . . . . . . . 5136 1
68 . 1 1 10 10 ILE HD13 H 1 0.81 . . 1 . . . . . . . . 5136 1
69 . 1 1 11 11 DAB H H 1 8.40 . . 1 . . . . . . . . 5136 1
70 . 1 1 11 11 DAB HA H 1 4.34 . . 1 . . . . . . . . 5136 1
71 . 1 1 11 11 DAB HB2 H 1 1.53 . . 2 . . . . . . . . 5136 1
72 . 1 1 11 11 DAB HB3 H 1 1.85 . . 2 . . . . . . . . 5136 1
73 . 1 1 11 11 DAB HG2 H 1 3.02 . . 2 . . . . . . . . 5136 1
74 . 1 1 11 11 DAB HG3 H 1 3.09 . . 2 . . . . . . . . 5136 1
75 . 1 1 12 12 THR H H 1 7.76 . . 1 . . . . . . . . 5136 1
76 . 1 1 12 12 THR HA H 1 4.40 . . 1 . . . . . . . . 5136 1
77 . 1 1 12 12 THR HB H 1 4.11 . . 1 . . . . . . . . 5136 1
78 . 1 1 12 12 THR HG21 H 1 1.05 . . 1 . . . . . . . . 5136 1
79 . 1 1 12 12 THR HG22 H 1 1.05 . . 1 . . . . . . . . 5136 1
80 . 1 1 12 12 THR HG23 H 1 1.05 . . 1 . . . . . . . . 5136 1
81 . 1 1 13 13 THR H H 1 7.80 . . 1 . . . . . . . . 5136 1
82 . 1 1 13 13 THR HA H 1 4.39 . . 1 . . . . . . . . 5136 1
83 . 1 1 13 13 THR HB H 1 4.08 . . 1 . . . . . . . . 5136 1
84 . 1 1 13 13 THR HG21 H 1 1.02 . . 1 . . . . . . . . 5136 1
85 . 1 1 13 13 THR HG22 H 1 1.02 . . 1 . . . . . . . . 5136 1
86 . 1 1 13 13 THR HG23 H 1 1.02 . . 1 . . . . . . . . 5136 1
stop_
save_