###################################
# 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_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode shift_set_1
_Assigned_chem_shift_list.Entry_ID 5384
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Ex-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 $sample_1 . 5384 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 1 1 PCA H H 1 8.29 . . 1 . . . . . . . . 5384 1
2 . 1 1 1 1 PCA HA H 1 4.55 . . 1 . . . . . . . . 5384 1
3 . 1 1 1 1 PCA HB2 H 1 2.30 . . 2 . . . . . . . . 5384 1
4 . 1 1 1 1 PCA HB3 H 1 2.30 . . 2 . . . . . . . . 5384 1
5 . 1 1 1 1 PCA HG2 H 1 2.73 . . 2 . . . . . . . . 5384 1
6 . 1 1 1 1 PCA HG3 H 1 2.62 . . 2 . . . . . . . . 5384 1
7 . 1 1 2 2 GLY H H 1 8.60 . . 1 . . . . . . . . 5384 1
8 . 1 1 2 2 GLY HA2 H 1 4.28 . . 2 . . . . . . . . 5384 1
9 . 1 1 2 2 GLY HA3 H 1 4.10 . . 2 . . . . . . . . 5384 1
10 . 1 1 3 3 PRO HA H 1 4.58 . . 1 . . . . . . . . 5384 1
11 . 1 1 3 3 PRO HB2 H 1 2.36 . . 2 . . . . . . . . 5384 1
12 . 1 1 3 3 PRO HB3 H 1 2.00 . . 2 . . . . . . . . 5384 1
13 . 1 1 3 3 PRO HG2 H 1 2.13 . . 1 . . . . . . . . 5384 1
14 . 1 1 3 3 PRO HG3 H 1 2.13 . . 1 . . . . . . . . 5384 1
15 . 1 1 3 3 PRO HD2 H 1 3.73 . . 1 . . . . . . . . 5384 1
16 . 1 1 3 3 PRO HD3 H 1 3.73 . . 1 . . . . . . . . 5384 1
17 . 1 1 4 4 TRP H H 1 8.38 . . 1 . . . . . . . . 5384 1
18 . 1 1 4 4 TRP HA H 1 4.83 . . 1 . . . . . . . . 5384 1
19 . 1 1 4 4 TRP HB2 H 1 3.49 . . 2 . . . . . . . . 5384 1
20 . 1 1 4 4 TRP HB3 H 1 3.41 . . 2 . . . . . . . . 5384 1
21 . 1 1 4 4 TRP HD1 H 1 7.43 . . 1 . . . . . . . . 5384 1
22 . 1 1 4 4 TRP HE3 H 1 7.83 . . 1 . . . . . . . . 5384 1
23 . 1 1 4 4 TRP HE1 H 1 10.52 . . 1 . . . . . . . . 5384 1
24 . 1 1 4 4 TRP HZ3 H 1 7.32 . . 1 . . . . . . . . 5384 1
25 . 1 1 4 4 TRP HZ2 H 1 7.65 . . 1 . . . . . . . . 5384 1
26 . 1 1 4 4 TRP HH2 H 1 7.40 . . 1 . . . . . . . . 5384 1
27 . 1 1 5 5 LEU H H 1 8.28 . . 1 . . . . . . . . 5384 1
28 . 1 1 5 5 LEU HA H 1 4.45 . . 1 . . . . . . . . 5384 1
29 . 1 1 5 5 LEU HB2 H 1 1.69 . . 1 . . . . . . . . 5384 1
30 . 1 1 5 5 LEU HB3 H 1 1.69 . . 1 . . . . . . . . 5384 1
31 . 1 1 5 5 LEU HD11 H 1 1.07 . . 2 . . . . . . . . 5384 1
32 . 1 1 5 5 LEU HD12 H 1 1.07 . . 2 . . . . . . . . 5384 1
33 . 1 1 5 5 LEU HD13 H 1 1.07 . . 2 . . . . . . . . 5384 1
34 . 1 1 5 5 LEU HD21 H 1 1.03 . . 2 . . . . . . . . 5384 1
35 . 1 1 5 5 LEU HD22 H 1 1.03 . . 2 . . . . . . . . 5384 1
36 . 1 1 5 5 LEU HD23 H 1 1.03 . . 2 . . . . . . . . 5384 1
37 . 1 1 6 6 GLU H H 1 8.45 . . 1 . . . . . . . . 5384 1
38 . 1 1 6 6 GLU HA H 1 4.29 . . 1 . . . . . . . . 5384 1
39 . 1 1 6 6 GLU HB2 H 1 2.21 . . 2 . . . . . . . . 5384 1
40 . 1 1 6 6 GLU HB3 H 1 2.12 . . 2 . . . . . . . . 5384 1
41 . 1 1 6 6 GLU HG2 H 1 2.50 . . 1 . . . . . . . . 5384 1
42 . 1 1 6 6 GLU HG3 H 1 2.50 . . 1 . . . . . . . . 5384 1
43 . 1 1 7 7 GLU H H 1 8.63 . . 1 . . . . . . . . 5384 1
44 . 1 1 7 7 GLU HA H 1 4.36 . . 1 . . . . . . . . 5384 1
45 . 1 1 7 7 GLU HB2 H 1 2.22 . . 2 . . . . . . . . 5384 1
46 . 1 1 7 7 GLU HB3 H 1 2.15 . . 2 . . . . . . . . 5384 1
47 . 1 1 7 7 GLU HG2 H 1 2.51 . . 1 . . . . . . . . 5384 1
48 . 1 1 7 7 GLU HG3 H 1 2.51 . . 1 . . . . . . . . 5384 1
49 . 1 1 8 8 GLU H H 1 8.52 . . 1 . . . . . . . . 5384 1
50 . 1 1 8 8 GLU HA H 1 4.37 . . 1 . . . . . . . . 5384 1
51 . 1 1 8 8 GLU HB2 H 1 2.18 . . 2 . . . . . . . . 5384 1
52 . 1 1 8 8 GLU HB3 H 1 2.15 . . 2 . . . . . . . . 5384 1
53 . 1 1 8 8 GLU HG2 H 1 2.53 . . 1 . . . . . . . . 5384 1
54 . 1 1 8 8 GLU HG3 H 1 2.53 . . 1 . . . . . . . . 5384 1
55 . 1 1 9 9 GLU H H 1 8.53 . . 1 . . . . . . . . 5384 1
56 . 1 1 9 9 GLU HA H 1 4.32 . . 1 . . . . . . . . 5384 1
57 . 1 1 9 9 GLU HB2 H 1 2.19 . . 2 . . . . . . . . 5384 1
58 . 1 1 9 9 GLU HB3 H 1 2.11 . . 2 . . . . . . . . 5384 1
59 . 1 1 9 9 GLU HG2 H 1 2.51 . . 1 . . . . . . . . 5384 1
60 . 1 1 9 9 GLU HG3 H 1 2.51 . . 1 . . . . . . . . 5384 1
61 . 1 1 10 10 GLU H H 1 8.50 . . 1 . . . . . . . . 5384 1
62 . 1 1 10 10 GLU HA H 1 4.32 . . 1 . . . . . . . . 5384 1
63 . 1 1 10 10 GLU HB2 H 1 2.20 . . 2 . . . . . . . . 5384 1
64 . 1 1 10 10 GLU HB3 H 1 2.13 . . 2 . . . . . . . . 5384 1
65 . 1 1 10 10 GLU HG2 H 1 2.50 . . 1 . . . . . . . . 5384 1
66 . 1 1 10 10 GLU HG3 H 1 2.50 . . 1 . . . . . . . . 5384 1
67 . 1 1 11 11 ALA H H 1 8.33 . . 1 . . . . . . . . 5384 1
68 . 1 1 11 11 ALA HA H 1 4.36 . . 1 . . . . . . . . 5384 1
69 . 1 1 11 11 ALA HB1 H 1 1.45 . . 1 . . . . . . . . 5384 1
70 . 1 1 11 11 ALA HB2 H 1 1.45 . . 1 . . . . . . . . 5384 1
71 . 1 1 11 11 ALA HB3 H 1 1.45 . . 1 . . . . . . . . 5384 1
72 . 1 1 12 12 TYR H H 1 8.27 . . 1 . . . . . . . . 5384 1
73 . 1 1 12 12 TYR HA H 1 4.63 . . 1 . . . . . . . . 5384 1
74 . 1 1 12 12 TYR HB2 H 1 3.15 . . 2 . . . . . . . . 5384 1
75 . 1 1 12 12 TYR HB3 H 1 3.03 . . 2 . . . . . . . . 5384 1
76 . 1 1 12 12 TYR HD1 H 1 7.29 . . 1 . . . . . . . . 5384 1
77 . 1 1 12 12 TYR HD2 H 1 7.29 . . 1 . . . . . . . . 5384 1
78 . 1 1 12 12 TYR HE1 H 1 7.00 . . 1 . . . . . . . . 5384 1
79 . 1 1 12 12 TYR HE2 H 1 7.00 . . 1 . . . . . . . . 5384 1
80 . 1 1 13 13 GLY H H 1 8.50 . . 1 . . . . . . . . 5384 1
81 . 1 1 13 13 GLY HA2 H 1 4.05 . . 1 . . . . . . . . 5384 1
82 . 1 1 13 13 GLY HA3 H 1 4.05 . . 1 . . . . . . . . 5384 1
83 . 1 1 14 14 TRP H H 1 8.10 . . 1 . . . . . . . . 5384 1
84 . 1 1 14 14 TRP HA H 1 4.73 . . 1 . . . . . . . . 5384 1
85 . 1 1 14 14 TRP HB2 H 1 3.46 . . 1 . . . . . . . . 5384 1
86 . 1 1 14 14 TRP HB3 H 1 3.46 . . 1 . . . . . . . . 5384 1
87 . 1 1 14 14 TRP HD1 H 1 7.41 . . 1 . . . . . . . . 5384 1
88 . 1 1 14 14 TRP HE3 H 1 7.75 . . 1 . . . . . . . . 5384 1
89 . 1 1 14 14 TRP HE1 H 1 10.48 . . 1 . . . . . . . . 5384 1
90 . 1 1 14 14 TRP HZ3 H 1 7.30 . . 1 . . . . . . . . 5384 1
91 . 1 1 14 14 TRP HZ2 H 1 7.63 . . 1 . . . . . . . . 5384 1
92 . 1 1 14 14 TRP HH2 H 1 7.39 . . 1 . . . . . . . . 5384 1
93 . 1 1 15 15 MET H H 1 8.13 . . 1 . . . . . . . . 5384 1
94 . 1 1 15 15 MET HA H 1 4.39 . . 1 . . . . . . . . 5384 1
95 . 1 1 15 15 MET HB2 H 1 1.91 . . 1 . . . . . . . . 5384 1
96 . 1 1 15 15 MET HB3 H 1 1.91 . . 1 . . . . . . . . 5384 1
97 . 1 1 15 15 MET HG2 H 1 2.29 . . 1 . . . . . . . . 5384 1
98 . 1 1 15 15 MET HG3 H 1 2.29 . . 1 . . . . . . . . 5384 1
99 . 1 1 15 15 MET HE1 H 1 2.18 . . 1 . . . . . . . . 5384 1
100 . 1 1 15 15 MET HE2 H 1 2.18 . . 1 . . . . . . . . 5384 1
101 . 1 1 15 15 MET HE3 H 1 2.18 . . 1 . . . . . . . . 5384 1
102 . 1 1 16 16 ASP H H 1 8.23 . . 1 . . . . . . . . 5384 1
103 . 1 1 16 16 ASP HA H 1 4.68 . . 1 . . . . . . . . 5384 1
104 . 1 1 16 16 ASP HB2 H 1 2.83 . . 2 . . . . . . . . 5384 1
105 . 1 1 16 16 ASP HB3 H 1 2.66 . . 2 . . . . . . . . 5384 1
106 . 1 1 17 17 PHE H H 1 8.47 . . 1 . . . . . . . . 5384 1
107 . 1 1 17 17 PHE HA H 1 4.78 . . 1 . . . . . . . . 5384 1
108 . 1 1 17 17 PHE HB2 H 1 3.45 . . 2 . . . . . . . . 5384 1
109 . 1 1 17 17 PHE HB3 H 1 3.14 . . 2 . . . . . . . . 5384 1
110 . 1 1 17 17 PHE HD1 H 1 7.45 . . 1 . . . . . . . . 5384 1
111 . 1 1 17 17 PHE HD2 H 1 7.45 . . 1 . . . . . . . . 5384 1
112 . 1 1 17 17 PHE HE1 H 1 7.47 . . 1 . . . . . . . . 5384 1
113 . 1 1 17 17 PHE HE2 H 1 7.47 . . 1 . . . . . . . . 5384 1
114 . 1 1 17 17 PHE HZ H 1 7.52 . . 1 . . . . . . . . 5384 1
115 . 1 1 18 18 GLY H H 1 8.32 . . 1 . . . . . . . . 5384 1
116 . 1 1 18 18 GLY HA2 H 1 3.96 . . 2 . . . . . . . . 5384 1
117 . 1 1 18 18 GLY HA3 H 1 3.90 . . 2 . . . . . . . . 5384 1
stop_
save_