###################################
# 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_shifts
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shifts
_Assigned_chem_shift_list.Entry_ID 4723
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $condition_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 . 4723 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 GLN H H 1 7.97 0.01 . 1 . . . . . . . . 4723 1
2 . 1 1 1 1 GLN HA H 1 4.39 0.01 . 1 . . . . . . . . 4723 1
3 . 1 1 1 1 GLN HB2 H 1 2.02 0.01 . 1 . . . . . . . . 4723 1
4 . 1 1 1 1 GLN HB3 H 1 1.91 0.01 . 1 . . . . . . . . 4723 1
5 . 1 1 1 1 GLN HG2 H 1 2.30 0.01 . 1 . . . . . . . . 4723 1
6 . 1 1 1 1 GLN HG3 H 1 2.30 0.01 . 1 . . . . . . . . 4723 1
7 . 1 1 1 1 GLN HE21 H 1 7.44 0.01 . 1 . . . . . . . . 4723 1
8 . 1 1 1 1 GLN HE22 H 1 6.64 0.01 . 1 . . . . . . . . 4723 1
9 . 1 1 1 1 GLN CA C 13 56.6 0.1 . 1 . . . . . . . . 4723 1
10 . 1 1 1 1 GLN CB C 13 31.2 0.1 . 1 . . . . . . . . 4723 1
11 . 1 1 1 1 GLN CG C 13 34.9 0.1 . 1 . . . . . . . . 4723 1
12 . 1 1 2 2 ALA H H 1 8.19 0.01 . 1 . . . . . . . . 4723 1
13 . 1 1 2 2 ALA HA H 1 4.62 0.01 . 1 . . . . . . . . 4723 1
14 . 1 1 2 2 ALA HB1 H 1 1.44 0.01 . 1 . . . . . . . . 4723 1
15 . 1 1 2 2 ALA HB2 H 1 1.44 0.01 . 1 . . . . . . . . 4723 1
16 . 1 1 2 2 ALA HB3 H 1 1.44 0.01 . 1 . . . . . . . . 4723 1
17 . 1 1 2 2 ALA CA C 13 51.9 0.1 . 1 . . . . . . . . 4723 1
18 . 1 1 2 2 ALA CB C 13 19.0 0.1 . 1 . . . . . . . . 4723 1
19 . 1 1 3 3 PRO HA H 1 4.44 0.01 . 1 . . . . . . . . 4723 1
20 . 1 1 3 3 PRO HB2 H 1 2.28 0.01 . 1 . . . . . . . . 4723 1
21 . 1 1 3 3 PRO HB3 H 1 1.82 0.01 . 1 . . . . . . . . 4723 1
22 . 1 1 3 3 PRO HG2 H 1 2.07 0.01 . 1 . . . . . . . . 4723 1
23 . 1 1 3 3 PRO HG3 H 1 2.07 0.01 . 1 . . . . . . . . 4723 1
24 . 1 1 3 3 PRO HD2 H 1 3.81 0.01 . 1 . . . . . . . . 4723 1
25 . 1 1 3 3 PRO HD3 H 1 3.66 0.01 . 1 . . . . . . . . 4723 1
26 . 1 1 3 3 PRO CA C 13 64.5 0.1 . 1 . . . . . . . . 4723 1
27 . 1 1 3 3 PRO CB C 13 32.8 0.1 . 1 . . . . . . . . 4723 1
28 . 1 1 3 3 PRO CG C 13 28.4 0.1 . 1 . . . . . . . . 4723 1
29 . 1 1 3 3 PRO CD C 13 51.3 0.1 . 1 . . . . . . . . 4723 1
30 . 1 1 4 4 ALA H H 1 8.10 0.01 . 1 . . . . . . . . 4723 1
31 . 1 1 4 4 ALA HA H 1 4.39 0.01 . 1 . . . . . . . . 4723 1
32 . 1 1 4 4 ALA HB1 H 1 1.46 0.01 . 1 . . . . . . . . 4723 1
33 . 1 1 4 4 ALA HB2 H 1 1.46 0.01 . 1 . . . . . . . . 4723 1
34 . 1 1 4 4 ALA HB3 H 1 1.46 0.01 . 1 . . . . . . . . 4723 1
35 . 1 1 4 4 ALA CA C 13 53.9 0.1 . 1 . . . . . . . . 4723 1
36 . 1 1 4 4 ALA CB C 13 19.8 0.1 . 1 . . . . . . . . 4723 1
37 . 1 1 5 5 TYR H H 1 7.83 0.01 . 1 . . . . . . . . 4723 1
38 . 1 1 5 5 TYR HA H 1 4.45 0.01 . 1 . . . . . . . . 4723 1
39 . 1 1 5 5 TYR HB2 H 1 3.12 0.01 . 1 . . . . . . . . 4723 1
40 . 1 1 5 5 TYR HB3 H 1 3.12 0.01 . 1 . . . . . . . . 4723 1
41 . 1 1 5 5 TYR HD1 H 1 7.15 0.01 . 1 . . . . . . . . 4723 1
42 . 1 1 5 5 TYR HD2 H 1 7.15 0.01 . 1 . . . . . . . . 4723 1
43 . 1 1 5 5 TYR HE1 H 1 6.87 0.01 . 1 . . . . . . . . 4723 1
44 . 1 1 5 5 TYR HE2 H 1 6.87 0.01 . 1 . . . . . . . . 4723 1
45 . 1 1 5 5 TYR CA C 13 60.6 0.1 . 1 . . . . . . . . 4723 1
46 . 1 1 5 5 TYR CB C 13 39.3 0.1 . 1 . . . . . . . . 4723 1
47 . 1 1 5 5 TYR CD1 C 13 134.2 0.1 . 1 . . . . . . . . 4723 1
48 . 1 1 5 5 TYR CD2 C 13 134.2 0.1 . 1 . . . . . . . . 4723 1
49 . 1 1 5 5 TYR CE1 C 13 119.4 0.1 . 1 . . . . . . . . 4723 1
50 . 1 1 5 5 TYR CE2 C 13 119.4 0.1 . 1 . . . . . . . . 4723 1
51 . 1 1 6 6 GLU H H 1 8.52 0.01 . 1 . . . . . . . . 4723 1
52 . 1 1 6 6 GLU HA H 1 4.13 0.01 . 1 . . . . . . . . 4723 1
53 . 1 1 6 6 GLU HB2 H 1 2.08 0.01 . 1 . . . . . . . . 4723 1
54 . 1 1 6 6 GLU HB3 H 1 2.08 0.01 . 1 . . . . . . . . 4723 1
55 . 1 1 6 6 GLU HG2 H 1 2.38 0.01 . 1 . . . . . . . . 4723 1
56 . 1 1 6 6 GLU HG3 H 1 2.38 0.01 . 1 . . . . . . . . 4723 1
57 . 1 1 6 6 GLU CA C 13 60.0 0.1 . 1 . . . . . . . . 4723 1
58 . 1 1 6 6 GLU CB C 13 30.6 0.1 . 1 . . . . . . . . 4723 1
59 . 1 1 6 6 GLU CG C 13 37.4 0.1 . 1 . . . . . . . . 4723 1
60 . 1 1 7 7 GLU H H 1 8.17 0.01 . 1 . . . . . . . . 4723 1
61 . 1 1 7 7 GLU HA H 1 4.20 0.01 . 1 . . . . . . . . 4723 1
62 . 1 1 7 7 GLU HB2 H 1 2.16 0.01 . 1 . . . . . . . . 4723 1
63 . 1 1 7 7 GLU HB3 H 1 2.16 0.01 . 1 . . . . . . . . 4723 1
64 . 1 1 7 7 GLU HG2 H 1 2.40 0.01 . 1 . . . . . . . . 4723 1
65 . 1 1 7 7 GLU HG3 H 1 2.40 0.01 . 1 . . . . . . . . 4723 1
66 . 1 1 7 7 GLU CA C 13 59.9 0.1 . 1 . . . . . . . . 4723 1
67 . 1 1 7 7 GLU CB C 13 30.8 0.1 . 1 . . . . . . . . 4723 1
68 . 1 1 7 7 GLU CG C 13 37.6 0.1 . 1 . . . . . . . . 4723 1
69 . 1 1 8 8 ALA H H 1 8.01 0.01 . 1 . . . . . . . . 4723 1
70 . 1 1 8 8 ALA HA H 1 4.22 0.01 . 1 . . . . . . . . 4723 1
71 . 1 1 8 8 ALA HB1 H 1 1.51 0.01 . 1 . . . . . . . . 4723 1
72 . 1 1 8 8 ALA HB2 H 1 1.51 0.01 . 1 . . . . . . . . 4723 1
73 . 1 1 8 8 ALA HB3 H 1 1.51 0.01 . 1 . . . . . . . . 4723 1
74 . 1 1 8 8 ALA CA C 13 55.7 0.1 . 1 . . . . . . . . 4723 1
75 . 1 1 8 8 ALA CB C 13 19.0 0.1 . 1 . . . . . . . . 4723 1
76 . 1 1 9 9 ALA H H 1 8.13 0.01 . 1 . . . . . . . . 4723 1
77 . 1 1 9 9 ALA HA H 1 4.09 0.01 . 1 . . . . . . . . 4723 1
78 . 1 1 9 9 ALA HB1 H 1 1.49 0.01 . 1 . . . . . . . . 4723 1
79 . 1 1 9 9 ALA HB2 H 1 1.49 0.01 . 1 . . . . . . . . 4723 1
80 . 1 1 9 9 ALA HB3 H 1 1.49 0.01 . 1 . . . . . . . . 4723 1
81 . 1 1 9 9 ALA CA C 13 56.2 0.1 . 1 . . . . . . . . 4723 1
82 . 1 1 9 9 ALA CB C 13 18.9 0.1 . 1 . . . . . . . . 4723 1
83 . 1 1 10 10 GLU H H 1 8.01 0.01 . 1 . . . . . . . . 4723 1
84 . 1 1 10 10 GLU HA H 1 4.09 0.01 . 1 . . . . . . . . 4723 1
85 . 1 1 10 10 GLU HB2 H 1 2.20 0.01 . 1 . . . . . . . . 4723 1
86 . 1 1 10 10 GLU HB3 H 1 2.20 0.01 . 1 . . . . . . . . 4723 1
87 . 1 1 10 10 GLU HG2 H 1 2.48 0.01 . 1 . . . . . . . . 4723 1
88 . 1 1 10 10 GLU HG3 H 1 2.35 0.01 . 1 . . . . . . . . 4723 1
89 . 1 1 10 10 GLU CA C 13 60.3 0.1 . 1 . . . . . . . . 4723 1
90 . 1 1 10 10 GLU CB C 13 30.6 0.1 . 1 . . . . . . . . 4723 1
91 . 1 1 10 10 GLU CG C 13 37.2 0.1 . 1 . . . . . . . . 4723 1
92 . 1 1 11 11 GLU H H 1 7.97 0.01 . 1 . . . . . . . . 4723 1
93 . 1 1 11 11 GLU HA H 1 4.15 0.01 . 1 . . . . . . . . 4723 1
94 . 1 1 11 11 GLU HB2 H 1 2.19 0.01 . 1 . . . . . . . . 4723 1
95 . 1 1 11 11 GLU HB3 H 1 2.19 0.01 . 1 . . . . . . . . 4723 1
96 . 1 1 11 11 GLU HG2 H 1 2.41 0.01 . 1 . . . . . . . . 4723 1
97 . 1 1 11 11 GLU HG3 H 1 2.41 0.01 . 1 . . . . . . . . 4723 1
98 . 1 1 11 11 GLU CA C 13 60.1 0.1 . 1 . . . . . . . . 4723 1
99 . 1 1 11 11 GLU CB C 13 30.3 0.1 . 1 . . . . . . . . 4723 1
100 . 1 1 11 11 GLU CG C 13 36.6 0.1 . 1 . . . . . . . . 4723 1
101 . 1 1 12 12 LEU H H 1 8.29 0.01 . 1 . . . . . . . . 4723 1
102 . 1 1 12 12 LEU HA H 1 4.15 0.01 . 1 . . . . . . . . 4723 1
103 . 1 1 12 12 LEU HB2 H 1 1.88 0.01 . 1 . . . . . . . . 4723 1
104 . 1 1 12 12 LEU HB3 H 1 1.68 0.01 . 1 . . . . . . . . 4723 1
105 . 1 1 12 12 LEU HG H 1 1.78 0.01 . 1 . . . . . . . . 4723 1
106 . 1 1 12 12 LEU HD11 H 1 0.94 0.01 . 1 . . . . . . . . 4723 1
107 . 1 1 12 12 LEU HD12 H 1 0.94 0.01 . 1 . . . . . . . . 4723 1
108 . 1 1 12 12 LEU HD13 H 1 0.94 0.01 . 1 . . . . . . . . 4723 1
109 . 1 1 12 12 LEU HD21 H 1 0.94 0.01 . 1 . . . . . . . . 4723 1
110 . 1 1 12 12 LEU HD22 H 1 0.94 0.01 . 1 . . . . . . . . 4723 1
111 . 1 1 12 12 LEU HD23 H 1 0.94 0.01 . 1 . . . . . . . . 4723 1
112 . 1 1 12 12 LEU CA C 13 59.0 0.1 . 1 . . . . . . . . 4723 1
113 . 1 1 12 12 LEU CB C 13 42.8 0.1 . 1 . . . . . . . . 4723 1
114 . 1 1 12 12 LEU CG C 13 28.1 0.1 . 1 . . . . . . . . 4723 1
115 . 1 1 12 12 LEU CD1 C 13 25.1 0.1 . 1 . . . . . . . . 4723 1
116 . 1 1 12 12 LEU CD2 C 13 24.1 0.1 . 1 . . . . . . . . 4723 1
117 . 1 1 13 13 ALA H H 1 8.12 0.01 . 1 . . . . . . . . 4723 1
118 . 1 1 13 13 ALA HA H 1 4.18 0.01 . 1 . . . . . . . . 4723 1
119 . 1 1 13 13 ALA HB1 H 1 1.57 0.01 . 1 . . . . . . . . 4723 1
120 . 1 1 13 13 ALA HB2 H 1 1.57 0.01 . 1 . . . . . . . . 4723 1
121 . 1 1 13 13 ALA HB3 H 1 1.57 0.01 . 1 . . . . . . . . 4723 1
122 . 1 1 13 13 ALA CA C 13 55.7 0.1 . 1 . . . . . . . . 4723 1
123 . 1 1 13 13 ALA CB C 13 19.1 0.1 . 1 . . . . . . . . 4723 1
124 . 1 1 14 14 LYS H H 1 7.85 0.01 . 1 . . . . . . . . 4723 1
125 . 1 1 14 14 LYS HA H 1 4.24 0.01 . 1 . . . . . . . . 4723 1
126 . 1 1 14 14 LYS HB2 H 1 2.00 0.01 . 1 . . . . . . . . 4723 1
127 . 1 1 14 14 LYS HB3 H 1 2.00 0.01 . 1 . . . . . . . . 4723 1
128 . 1 1 14 14 LYS HG2 H 1 1.57 0.01 . 1 . . . . . . . . 4723 1
129 . 1 1 14 14 LYS HG3 H 1 1.57 0.01 . 1 . . . . . . . . 4723 1
130 . 1 1 14 14 LYS HD2 H 1 1.77 0.01 . 1 . . . . . . . . 4723 1
131 . 1 1 14 14 LYS HD3 H 1 1.77 0.01 . 1 . . . . . . . . 4723 1
132 . 1 1 14 14 LYS HE2 H 1 3.01 0.01 . 1 . . . . . . . . 4723 1
133 . 1 1 14 14 LYS HE3 H 1 3.01 0.01 . 1 . . . . . . . . 4723 1
134 . 1 1 14 14 LYS CA C 13 59.1 0.1 . 1 . . . . . . . . 4723 1
135 . 1 1 14 14 LYS CB C 13 34.0 0.1 . 1 . . . . . . . . 4723 1
136 . 1 1 14 14 LYS CG C 13 26.5 0.1 . 1 . . . . . . . . 4723 1
137 . 1 1 14 14 LYS CD C 13 30.6 0.1 . 1 . . . . . . . . 4723 1
138 . 1 1 14 14 LYS CE C 13 43.4 0.1 . 1 . . . . . . . . 4723 1
139 . 1 1 15 15 SER H H 1 7.87 0.01 . 1 . . . . . . . . 4723 1
140 . 1 1 15 15 SER HA H 1 4.43 0.01 . 1 . . . . . . . . 4723 1
141 . 1 1 15 15 SER HB2 H 1 4.06 0.01 . 1 . . . . . . . . 4723 1
142 . 1 1 15 15 SER HB3 H 1 4.06 0.01 . 1 . . . . . . . . 4723 1
143 . 1 1 15 15 SER CA C 13 60.6 0.1 . 1 . . . . . . . . 4723 1
144 . 1 1 15 15 SER CB C 13 65.2 0.1 . 1 . . . . . . . . 4723 1
stop_
save_