###################################
# 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 5113
_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 $sample_1 . 5113 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 HIS HA H 1 4.56 0.1 . 1 . . . . . . . . 5113 1
2 . 1 1 1 1 HIS HB2 H 1 3.39 0.1 . 2 . . . . . . . . 5113 1
3 . 1 1 1 1 HIS HB3 H 1 2.58 0.1 . 2 . . . . . . . . 5113 1
4 . 1 1 1 1 HIS HD2 H 1 7.52 0.1 . 1 . . . . . . . . 5113 1
5 . 1 1 1 1 HIS HE1 H 1 8.61 0.1 . 1 . . . . . . . . 5113 1
6 . 1 1 2 2 HYP HA H 1 4.93 0.1 . 1 . . . . . . . . 5113 1
7 . 1 1 2 2 HYP HB2 H 1 2.47 0.1 . 1 . . . . . . . . 5113 1
8 . 1 1 2 2 HYP HB3 H 1 1.87 0.1 . 1 . . . . . . . . 5113 1
9 . 1 1 2 2 HYP HG H 1 4.20 0.1 . 1 . . . . . . . . 5113 1
10 . 1 1 2 2 HYP HD22 H 1 2.26 0.1 . 1 . . . . . . . . 5113 1
11 . 1 1 2 2 HYP HD23 H 1 3.46 0.1 . 1 . . . . . . . . 5113 1
12 . 1 1 3 3 HYP HA H 1 4.71 0.1 . 1 . . . . . . . . 5113 1
13 . 1 1 3 3 HYP HB2 H 1 2.47 0.1 . 1 . . . . . . . . 5113 1
14 . 1 1 3 3 HYP HB3 H 1 1.94 0.1 . 1 . . . . . . . . 5113 1
15 . 1 1 3 3 HYP HG H 1 4.65 0.1 . 1 . . . . . . . . 5113 1
16 . 1 1 3 3 HYP HD22 H 1 3.64 0.1 . 1 . . . . . . . . 5113 1
17 . 1 1 3 3 HYP HD23 H 1 3.84 0.1 . 1 . . . . . . . . 5113 1
18 . 1 1 4 4 CYS H H 1 9.09 0.1 . 1 . . . . . . . . 5113 1
19 . 1 1 4 4 CYS HA H 1 4.66 0.1 . 1 . . . . . . . . 5113 1
20 . 1 1 4 4 CYS HB2 H 1 3.06 0.1 . 1 . . . . . . . . 5113 1
21 . 1 1 4 4 CYS HB3 H 1 2.85 0.1 . 1 . . . . . . . . 5113 1
22 . 1 1 5 5 CYS H H 1 8.09 0.1 . 1 . . . . . . . . 5113 1
23 . 1 1 5 5 CYS HA H 1 5.39 0.1 . 1 . . . . . . . . 5113 1
24 . 1 1 5 5 CYS HB2 H 1 2.79 0.1 . 1 . . . . . . . . 5113 1
25 . 1 1 5 5 CYS HB3 H 1 2.95 0.1 . 1 . . . . . . . . 5113 1
26 . 1 1 6 6 LEU H H 1 8.23 0.1 . 1 . . . . . . . . 5113 1
27 . 1 1 6 6 LEU HA H 1 4.24 0.1 . 1 . . . . . . . . 5113 1
28 . 1 1 6 6 LEU HB2 H 1 1.09 0.1 . 1 . . . . . . . . 5113 1
29 . 1 1 6 6 LEU HB3 H 1 1.47 0.1 . 1 . . . . . . . . 5113 1
30 . 1 1 6 6 LEU HG H 1 0.87 0.1 . 1 . . . . . . . . 5113 1
31 . 1 1 6 6 LEU HD11 H 1 0.76 0.1 . 2 . . . . . . . . 5113 1
32 . 1 1 6 6 LEU HD12 H 1 0.76 0.1 . 2 . . . . . . . . 5113 1
33 . 1 1 6 6 LEU HD13 H 1 0.76 0.1 . 2 . . . . . . . . 5113 1
34 . 1 1 6 6 LEU HD21 H 1 0.60 0.1 . 2 . . . . . . . . 5113 1
35 . 1 1 6 6 LEU HD22 H 1 0.60 0.1 . 2 . . . . . . . . 5113 1
36 . 1 1 6 6 LEU HD23 H 1 0.60 0.1 . 2 . . . . . . . . 5113 1
37 . 1 1 7 7 TYR H H 1 9.46 0.1 . 1 . . . . . . . . 5113 1
38 . 1 1 7 7 TYR HA H 1 4.30 0.1 . 1 . . . . . . . . 5113 1
39 . 1 1 7 7 TYR HB2 H 1 3.00 0.1 . 1 . . . . . . . . 5113 1
40 . 1 1 7 7 TYR HB3 H 1 3.30 0.1 . 1 . . . . . . . . 5113 1
41 . 1 1 7 7 TYR HD1 H 1 7.05 0.1 . 1 . . . . . . . . 5113 1
42 . 1 1 7 7 TYR HD2 H 1 7.05 0.1 . 1 . . . . . . . . 5113 1
43 . 1 1 7 7 TYR HE1 H 1 6.81 0.1 . 1 . . . . . . . . 5113 1
44 . 1 1 7 7 TYR HE2 H 1 6.81 0.1 . 1 . . . . . . . . 5113 1
45 . 1 1 8 8 GLY H H 1 8.66 0.1 . 1 . . . . . . . . 5113 1
46 . 1 1 8 8 GLY HA2 H 1 3.58 0.1 . 1 . . . . . . . . 5113 1
47 . 1 1 8 8 GLY HA3 H 1 4.15 0.1 . 1 . . . . . . . . 5113 1
48 . 1 1 9 9 LYS H H 1 7.69 0.1 . 1 . . . . . . . . 5113 1
49 . 1 1 9 9 LYS HA H 1 4.48 0.1 . 1 . . . . . . . . 5113 1
50 . 1 1 9 9 LYS HB2 H 1 1.80 0.1 . 2 . . . . . . . . 5113 1
51 . 1 1 9 9 LYS HB3 H 1 1.32 0.1 . 2 . . . . . . . . 5113 1
52 . 1 1 9 9 LYS HG2 H 1 1.41 0.1 . 1 . . . . . . . . 5113 1
53 . 1 1 9 9 LYS HG3 H 1 1.41 0.1 . 1 . . . . . . . . 5113 1
54 . 1 1 9 9 LYS HD2 H 1 1.64 0.1 . 1 . . . . . . . . 5113 1
55 . 1 1 9 9 LYS HD3 H 1 1.64 0.1 . 1 . . . . . . . . 5113 1
56 . 1 1 9 9 LYS HE2 H 1 2.97 0.1 . 1 . . . . . . . . 5113 1
57 . 1 1 9 9 LYS HE3 H 1 2.97 0.1 . 1 . . . . . . . . 5113 1
58 . 1 1 10 10 CYS H H 1 8.52 0.1 . 1 . . . . . . . . 5113 1
59 . 1 1 10 10 CYS HA H 1 4.66 0.1 . 1 . . . . . . . . 5113 1
60 . 1 1 10 10 CYS HB2 H 1 2.82 0.1 . 1 . . . . . . . . 5113 1
61 . 1 1 10 10 CYS HB3 H 1 2.90 0.1 . 1 . . . . . . . . 5113 1
62 . 1 1 11 11 ARG H H 1 9.03 0.1 . 1 . . . . . . . . 5113 1
63 . 1 1 11 11 ARG HA H 1 4.27 0.1 . 1 . . . . . . . . 5113 1
64 . 1 1 11 11 ARG HB2 H 1 1.47 0.1 . 2 . . . . . . . . 5113 1
65 . 1 1 11 11 ARG HB3 H 1 1.10 0.1 . 2 . . . . . . . . 5113 1
66 . 1 1 11 11 ARG HG2 H 1 1.63 0.1 . 1 . . . . . . . . 5113 1
67 . 1 1 11 11 ARG HG3 H 1 1.63 0.1 . 1 . . . . . . . . 5113 1
68 . 1 1 11 11 ARG HD2 H 1 3.16 0.1 . 2 . . . . . . . . 5113 1
69 . 1 1 11 11 ARG HD3 H 1 3.09 0.1 . 2 . . . . . . . . 5113 1
70 . 1 1 11 11 ARG HE H 1 6.65 0.1 . 1 . . . . . . . . 5113 1
71 . 1 1 12 12 ARG H H 1 7.97 0.1 . 1 . . . . . . . . 5113 1
72 . 1 1 12 12 ARG HA H 1 3.97 0.1 . 1 . . . . . . . . 5113 1
73 . 1 1 12 12 ARG HB2 H 1 1.36 0.1 . 1 . . . . . . . . 5113 1
74 . 1 1 12 12 ARG HB3 H 1 1.77 0.1 . 1 . . . . . . . . 5113 1
75 . 1 1 12 12 ARG HG2 H 1 1.45 0.1 . 1 . . . . . . . . 5113 1
76 . 1 1 12 12 ARG HG3 H 1 1.45 0.1 . 1 . . . . . . . . 5113 1
77 . 1 1 12 12 ARG HD2 H 1 3.08 0.1 . 2 . . . . . . . . 5113 1
78 . 1 1 12 12 ARG HD3 H 1 3.01 0.1 . 2 . . . . . . . . 5113 1
79 . 1 1 12 12 ARG HE H 1 7.21 0.1 . 1 . . . . . . . . 5113 1
80 . 1 1 13 13 TYR H H 1 7.15 0.1 . 1 . . . . . . . . 5113 1
81 . 1 1 13 13 TYR HA H 1 4.63 0.1 . 1 . . . . . . . . 5113 1
82 . 1 1 13 13 TYR HB2 H 1 2.10 0.1 . 1 . . . . . . . . 5113 1
83 . 1 1 13 13 TYR HB3 H 1 2.73 0.1 . 1 . . . . . . . . 5113 1
84 . 1 1 13 13 TYR HD1 H 1 6.99 0.1 . 1 . . . . . . . . 5113 1
85 . 1 1 13 13 TYR HD2 H 1 6.99 0.1 . 1 . . . . . . . . 5113 1
86 . 1 1 13 13 TYR HE1 H 1 6.69 0.1 . 1 . . . . . . . . 5113 1
87 . 1 1 13 13 TYR HE2 H 1 6.69 0.1 . 1 . . . . . . . . 5113 1
88 . 1 1 14 14 HYP HA H 1 4.51 0.1 . 1 . . . . . . . . 5113 1
89 . 1 1 14 14 HYP HB2 H 1 2.32 0.1 . 1 . . . . . . . . 5113 1
90 . 1 1 14 14 HYP HB3 H 1 2.11 0.1 . 1 . . . . . . . . 5113 1
91 . 1 1 14 14 HYP HG H 1 4.69 0.1 . 1 . . . . . . . . 5113 1
92 . 1 1 14 14 HYP HD22 H 1 3.76 0.1 . 1 . . . . . . . . 5113 1
93 . 1 1 14 14 HYP HD23 H 1 3.94 0.1 . 1 . . . . . . . . 5113 1
94 . 1 1 15 15 GLY H H 1 8.76 0.1 . 1 . . . . . . . . 5113 1
95 . 1 1 15 15 GLY HA2 H 1 3.77 0.1 . 1 . . . . . . . . 5113 1
96 . 1 1 15 15 GLY HA3 H 1 4.48 0.1 . 1 . . . . . . . . 5113 1
97 . 1 1 16 16 CYS H H 1 8.11 0.1 . 1 . . . . . . . . 5113 1
98 . 1 1 16 16 CYS HA H 1 4.90 0.1 . 1 . . . . . . . . 5113 1
99 . 1 1 16 16 CYS HB2 H 1 3.50 0.1 . 1 . . . . . . . . 5113 1
100 . 1 1 16 16 CYS HB3 H 1 3.13 0.1 . 1 . . . . . . . . 5113 1
101 . 1 1 17 17 SER H H 1 8.35 0.1 . 1 . . . . . . . . 5113 1
102 . 1 1 17 17 SER HA H 1 3.95 0.1 . 1 . . . . . . . . 5113 1
103 . 1 1 17 17 SER HB2 H 1 3.90 0.1 . 1 . . . . . . . . 5113 1
104 . 1 1 17 17 SER HB3 H 1 3.90 0.1 . 1 . . . . . . . . 5113 1
105 . 1 1 18 18 SER H H 1 7.70 0.1 . 1 . . . . . . . . 5113 1
106 . 1 1 18 18 SER HA H 1 4.41 0.1 . 1 . . . . . . . . 5113 1
107 . 1 1 18 18 SER HB2 H 1 3.97 0.1 . 1 . . . . . . . . 5113 1
108 . 1 1 18 18 SER HB3 H 1 3.78 0.1 . 1 . . . . . . . . 5113 1
109 . 1 1 19 19 ALA H H 1 7.79 0.1 . 1 . . . . . . . . 5113 1
110 . 1 1 19 19 ALA HA H 1 4.29 0.1 . 1 . . . . . . . . 5113 1
111 . 1 1 19 19 ALA HB1 H 1 1.52 0.1 . 1 . . . . . . . . 5113 1
112 . 1 1 19 19 ALA HB2 H 1 1.52 0.1 . 1 . . . . . . . . 5113 1
113 . 1 1 19 19 ALA HB3 H 1 1.52 0.1 . 1 . . . . . . . . 5113 1
114 . 1 1 20 20 SER H H 1 9.32 0.1 . 1 . . . . . . . . 5113 1
115 . 1 1 20 20 SER HA H 1 4.06 0.1 . 1 . . . . . . . . 5113 1
116 . 1 1 20 20 SER HB2 H 1 3.91 0.1 . 1 . . . . . . . . 5113 1
117 . 1 1 20 20 SER HB3 H 1 3.98 0.1 . 1 . . . . . . . . 5113 1
118 . 1 1 21 21 CYS H H 1 7.39 0.1 . 1 . . . . . . . . 5113 1
119 . 1 1 21 21 CYS HA H 1 4.68 0.1 . 1 . . . . . . . . 5113 1
120 . 1 1 21 21 CYS HB2 H 1 3.37 0.1 . 1 . . . . . . . . 5113 1
121 . 1 1 21 21 CYS HB3 H 1 3.04 0.1 . 1 . . . . . . . . 5113 1
122 . 1 1 22 22 CYS H H 1 7.75 0.1 . 1 . . . . . . . . 5113 1
123 . 1 1 22 22 CYS HA H 1 4.67 0.1 . 1 . . . . . . . . 5113 1
124 . 1 1 22 22 CYS HB2 H 1 3.04 0.1 . 1 . . . . . . . . 5113 1
125 . 1 1 22 22 CYS HB3 H 1 3.19 0.1 . 1 . . . . . . . . 5113 1
126 . 1 1 23 23 GLN H H 1 7.58 0.1 . 1 . . . . . . . . 5113 1
127 . 1 1 23 23 GLN HA H 1 4.26 0.1 . 1 . . . . . . . . 5113 1
128 . 1 1 23 23 GLN HB2 H 1 2.00 0.1 . 1 . . . . . . . . 5113 1
129 . 1 1 23 23 GLN HB3 H 1 2.12 0.1 . 1 . . . . . . . . 5113 1
130 . 1 1 23 23 GLN HG2 H 1 2.37 0.1 . 1 . . . . . . . . 5113 1
131 . 1 1 23 23 GLN HG3 H 1 2.37 0.1 . 1 . . . . . . . . 5113 1
132 . 1 1 23 23 GLN HE21 H 1 7.30 0.1 . 2 . . . . . . . . 5113 1
133 . 1 1 23 23 GLN HE22 H 1 6.90 0.1 . 2 . . . . . . . . 5113 1
134 . 1 1 24 24 AAR H H 1 8.36 0.1 . 1 . . . . . . . . 5113 1
135 . 1 1 24 24 AAR HA H 1 4.26 0.1 . 1 . . . . . . . . 5113 1
136 . 1 1 24 24 AAR HB2 H 1 1.83 0.1 . 2 . . . . . . . . 5113 1
137 . 1 1 24 24 AAR HB3 H 1 1.73 0.1 . 2 . . . . . . . . 5113 1
138 . 1 1 24 24 AAR HG2 H 1 1.60 0.1 . 2 . . . . . . . . 5113 1
139 . 1 1 24 24 AAR HG3 H 1 1.60 0.1 . 2 . . . . . . . . 5113 1
140 . 1 1 24 24 AAR HD2 H 1 3.16 0.1 . 2 . . . . . . . . 5113 1
141 . 1 1 24 24 AAR HD3 H 1 3.16 0.1 . 2 . . . . . . . . 5113 1
142 . 1 1 24 24 AAR HE H 1 7.21 0.1 . 1 . . . . . . . . 5113 1
stop_
save_