###################################
# 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 21059
_Assigned_chem_shift_list.ID 1
_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 1H-1H NOESY' 1 $sample_1 isotropic 21059 1
2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 21059 1
3 '2D DQF-COSY' 1 $sample_1 isotropic 21059 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.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 2 2 TRP HA H 1 4.775 0.004 . 1 . . . . . 2 TRP HA . 21059 1
2 . 1 1 2 2 TRP HB2 H 1 3.292 0.003 . . . . . . . 2 TRP HB2 . 21059 1
3 . 1 1 2 2 TRP HB3 H 1 3.213 0.005 . . . . . . . 2 TRP HB3 . 21059 1
4 . 1 1 2 2 TRP HD1 H 1 7.362 0.002 . 1 . . . . . 2 TRP HD1 . 21059 1
5 . 1 1 2 2 TRP HE1 H 1 10.666 0.002 . 1 . . . . . 2 TRP HE1 . 21059 1
6 . 1 1 2 2 TRP HE3 H 1 7.427 0.004 . 1 . . . . . 2 TRP HE3 . 21059 1
7 . 1 1 2 2 TRP HH2 H 1 7.58 0.003 . 1 . . . . . 2 TRP HH2 . 21059 1
8 . 1 1 2 2 TRP HZ2 H 1 7.464 0.003 . 1 . . . . . 2 TRP HZ2 . 21059 1
9 . 1 1 2 2 TRP HZ3 H 1 6.922 0.030 . 1 . . . . . 2 TRP HZ3 . 21059 1
10 . 1 1 3 3 LYS H H 1 8.974 0.005 . 1 . . . . . 3 LYS H . 21059 1
11 . 1 1 3 3 LYS HA H 1 4.22 0.005 . 1 . . . . . 3 LYS HA . 21059 1
12 . 1 1 3 3 LYS HB2 H 1 1.859 0.005 . . . . . . . 3 LYS HB2 . 21059 1
13 . 1 1 3 3 LYS HB3 H 1 1.859 0.005 . . . . . . . 3 LYS HB3 . 21059 1
14 . 1 1 3 3 LYS HD2 H 1 1.729 0.004 . . . . . . . 3 LYS HD2 . 21059 1
15 . 1 1 3 3 LYS HD3 H 1 1.729 0.004 . . . . . . . 3 LYS HD3 . 21059 1
16 . 1 1 3 3 LYS HE2 H 1 2.996 0.000 . . . . . . . 3 LYS HE2 . 21059 1
17 . 1 1 3 3 LYS HE3 H 1 2.996 0.000 . . . . . . . 3 LYS HE3 . 21059 1
18 . 1 1 3 3 LYS HG2 H 1 1.443 0.000 . . . . . . . 3 LYS HG2 . 21059 1
19 . 1 1 3 3 LYS HG3 H 1 1.443 0.000 . . . . . . . 3 LYS HG3 . 21059 1
20 . 1 1 4 4 ILE H H 1 8.057 0.002 . 1 . . . . . 4 ILE H . 21059 1
21 . 1 1 4 4 ILE HA H 1 3.945 0.003 . 1 . . . . . 4 ILE HA . 21059 1
22 . 1 1 4 4 ILE HB H 1 1.744 0.003 . 1 . . . . . 4 ILE HB . 21059 1
23 . 1 1 4 4 ILE HD11 H 1 0.633 0.003 . 1 . . . . . 4 ILE MD . 21059 1
24 . 1 1 4 4 ILE HD12 H 1 0.633 0.003 . 1 . . . . . 4 ILE MD . 21059 1
25 . 1 1 4 4 ILE HD13 H 1 0.633 0.003 . 1 . . . . . 4 ILE MD . 21059 1
26 . 1 1 4 4 ILE HG12 H 1 1.28 0.004 . . . . . . . 4 ILE HG12 . 21059 1
27 . 1 1 4 4 ILE HG13 H 1 1.075 0.002 . . . . . . . 4 ILE HG13 . 21059 1
28 . 1 1 4 4 ILE HG21 H 1 0.796 0.005 . 1 . . . . . 4 ILE MG . 21059 1
29 . 1 1 4 4 ILE HG22 H 1 0.796 0.005 . 1 . . . . . 4 ILE MG . 21059 1
30 . 1 1 4 4 ILE HG23 H 1 0.796 0.005 . 1 . . . . . 4 ILE MG . 21059 1
31 . 1 1 5 5 PHE H H 1 7.671 0.003 . 1 . . . . . 5 PHE H . 21059 1
32 . 1 1 5 5 PHE HA H 1 4.403 0.002 . 1 . . . . . 5 PHE HA . 21059 1
33 . 1 1 5 5 PHE HB2 H 1 3.306 0.004 . . . . . . . 5 PHE HB2 . 21059 1
34 . 1 1 5 5 PHE HB3 H 1 3.144 0.004 . . . . . . . 5 PHE HB3 . 21059 1
35 . 1 1 5 5 PHE HD1 H 1 7.314 0.004 . . . . . . . 5 PHE HD1 . 21059 1
36 . 1 1 5 5 PHE HD2 H 1 7.314 0.004 . . . . . . . 5 PHE HD2 . 21059 1
37 . 1 1 5 5 PHE HE1 H 1 7.244 0.002 . . . . . . . 5 PHE HE1 . 21059 1
38 . 1 1 5 5 PHE HE2 H 1 7.244 0.002 . . . . . . . 5 PHE HE2 . 21059 1
39 . 1 1 5 5 PHE HZ H 1 7.123 0.006 . 1 . . . . . 5 PHE HZ . 21059 1
40 . 1 1 6 6 LYS H H 1 7.912 0.002 . 1 . . . . . 6 LYS H . 21059 1
41 . 1 1 6 6 LYS HA H 1 4.144 0.003 . 1 . . . . . 6 LYS HA . 21059 1
42 . 1 1 6 6 LYS HB2 H 1 1.922 0.001 . . . . . . . 6 LYS HB2 . 21059 1
43 . 1 1 6 6 LYS HB3 H 1 1.922 0.001 . . . . . . . 6 LYS HB3 . 21059 1
44 . 1 1 6 6 LYS HD2 H 1 1.736 0.001 . . . . . . . 6 LYS HD2 . 21059 1
45 . 1 1 6 6 LYS HD3 H 1 1.736 0.001 . . . . . . . 6 LYS HD3 . 21059 1
46 . 1 1 6 6 LYS HE2 H 1 2.945 0.000 . . . . . . . 6 LYS HE2 . 21059 1
47 . 1 1 6 6 LYS HE3 H 1 2.945 0.000 . . . . . . . 6 LYS HE3 . 21059 1
48 . 1 1 6 6 LYS HG2 H 1 1.558 0.000 . . . . . . . 6 LYS HG2 . 21059 1
49 . 1 1 6 6 LYS HG3 H 1 1.558 0.000 . . . . . . . 6 LYS HG3 . 21059 1
50 . 1 1 7 7 LYS H H 1 7.796 0.002 . 1 . . . . . 7 LYS H . 21059 1
51 . 1 1 7 7 LYS HA H 1 4.29 0.003 . 1 . . . . . 7 LYS HA . 21059 1
52 . 1 1 7 7 LYS HB2 H 1 1.821 0.003 . . . . . . . 7 LYS HB2 . 21059 1
53 . 1 1 7 7 LYS HB3 H 1 1.821 0.003 . . . . . . . 7 LYS HB3 . 21059 1
54 . 1 1 7 7 LYS HD2 H 1 1.661 0.001 . . . . . . . 7 LYS HD2 . 21059 1
55 . 1 1 7 7 LYS HD3 H 1 1.661 0.001 . . . . . . . 7 LYS HD3 . 21059 1
56 . 1 1 7 7 LYS HE2 H 1 2.933 0.000 . . . . . . . 7 LYS HE2 . 21059 1
57 . 1 1 7 7 LYS HE3 H 1 2.933 0.000 . . . . . . . 7 LYS HE3 . 21059 1
58 . 1 1 7 7 LYS HG2 H 1 1.51 0.000 . . . . . . . 7 LYS HG2 . 21059 1
59 . 1 1 7 7 LYS HG3 H 1 1.51 0.000 . . . . . . . 7 LYS HG3 . 21059 1
60 . 1 1 8 8 ILE H H 1 7.6 0.001 . 1 . . . . . 8 ILE H . 21059 1
61 . 1 1 8 8 ILE HA H 1 4.272 0.003 . 1 . . . . . 8 ILE HA . 21059 1
62 . 1 1 8 8 ILE HB H 1 2.031 0.004 . 1 . . . . . 8 ILE HB . 21059 1
63 . 1 1 8 8 ILE HD11 H 1 0.89 0.002 . 1 . . . . . 8 ILE MD . 21059 1
64 . 1 1 8 8 ILE HD12 H 1 0.89 0.002 . 1 . . . . . 8 ILE MD . 21059 1
65 . 1 1 8 8 ILE HD13 H 1 0.89 0.002 . 1 . . . . . 8 ILE MD . 21059 1
66 . 1 1 8 8 ILE HG12 H 1 1.818 0.001 . . . . . . . 8 ILE HG12 . 21059 1
67 . 1 1 8 8 ILE HG13 H 1 1.173 0.002 . . . . . . . 8 ILE HG13 . 21059 1
68 . 1 1 8 8 ILE HG21 H 1 0.972 0.001 . 1 . . . . . 8 ILE MG . 21059 1
69 . 1 1 8 8 ILE HG22 H 1 0.972 0.001 . 1 . . . . . 8 ILE MG . 21059 1
70 . 1 1 8 8 ILE HG23 H 1 0.972 0.001 . 1 . . . . . 8 ILE MG . 21059 1
71 . 1 1 9 9 UVR HA2 H 1 3.775 0.007 . 1 . . . . . 9 X HA2 . 21059 1
72 . 1 1 9 9 UVR HA3 H 1 3.775 0.007 . 1 . . . . . 9 X HA3 . 21059 1
73 . 1 1 9 9 UVR HB2 H 1 1.815 0.001 . . . . . . . 9 X HB2 . 21059 1
74 . 1 1 9 9 UVR HB3 H 1 1.815 0.001 . . . . . . . 9 X HB3 . 21059 1
75 . 1 1 9 9 UVR HG2 H 1 1.527 0.001 . . . . . . . 9 X HG2 . 21059 1
76 . 1 1 9 9 UVR HG3 H 1 1.527 0.001 . . . . . . . 9 X HG3 . 21059 1
77 . 1 1 9 9 UVR HD2 H 1 1.681 0.002 . . . . . . . 9 X HD2 . 21059 1
78 . 1 1 9 9 UVR HD3 H 1 1.681 0.002 . . . . . . . 9 X HD3 . 21059 1
79 . 1 1 9 9 UVR HE2 H 1 2.965 0.000 . . . . . . . 9 X HE2 . 21059 1
80 . 1 1 9 9 UVR HE3 H 1 2.965 0.000 . . . . . . . 9 X HE3 . 21059 1
81 . 1 1 10 10 LYS H H 1 7.601 0.002 . 1 . . . . . 10 LYS H . 21059 1
82 . 1 1 10 10 LYS HA H 1 4.147 0.001 . 1 . . . . . 10 LYS HA . 21059 1
83 . 1 1 10 10 LYS HB2 H 1 1.819 0.003 . . . . . . . 10 LYS HB2 . 21059 1
84 . 1 1 10 10 LYS HB3 H 1 1.819 0.003 . . . . . . . 10 LYS HB3 . 21059 1
85 . 1 1 10 10 LYS HD2 H 1 1.518 0.000 . . . . . . . 10 LYS HD2 . 21059 1
86 . 1 1 10 10 LYS HD3 H 1 1.518 0.000 . . . . . . . 10 LYS HD3 . 21059 1
87 . 1 1 10 10 LYS HE2 H 1 2.941 0.000 . . . . . . . 10 LYS HE2 . 21059 1
88 . 1 1 10 10 LYS HE3 H 1 2.941 0.000 . . . . . . . 10 LYS HE3 . 21059 1
89 . 1 1 10 10 LYS HG2 H 1 1.46 0.003 . . . . . . . 10 LYS HG2 . 21059 1
90 . 1 1 10 10 LYS HG3 H 1 1.46 0.003 . . . . . . . 10 LYS HG3 . 21059 1
91 . 1 1 11 11 PHE H H 1 8.206 0.002 . 1 . . . . . 11 PHE H . 21059 1
92 . 1 1 11 11 PHE HA H 1 4.508 0.001 . 1 . . . . . 11 PHE HA . 21059 1
93 . 1 1 11 11 PHE HB2 H 1 3.151 0.003 . . . . . . . 11 PHE HB2 . 21059 1
94 . 1 1 11 11 PHE HB3 H 1 3.151 0.003 . . . . . . . 11 PHE HB3 . 21059 1
95 . 1 1 11 11 PHE HD1 H 1 7.216 0.002 . . . . . . . 11 PHE HD1 . 21059 1
96 . 1 1 11 11 PHE HD2 H 1 7.216 0.002 . . . . . . . 11 PHE HD2 . 21059 1
97 . 1 1 11 11 PHE HE1 H 1 7.172 0.003 . . . . . . . 11 PHE HE1 . 21059 1
98 . 1 1 11 11 PHE HE2 H 1 7.172 0.003 . . . . . . . 11 PHE HE2 . 21059 1
99 . 1 1 12 12 LEU H H 1 8.202 0.001 . 1 . . . . . 12 LEU H . 21059 1
100 . 1 1 12 12 LEU HA H 1 4.044 0.003 . 1 . . . . . 12 LEU HA . 21059 1
101 . 1 1 12 12 LEU HB2 H 1 1.676 0.009 . . . . . . . 12 LEU HB2 . 21059 1
102 . 1 1 12 12 LEU HB3 H 1 1.676 0.009 . . . . . . . 12 LEU HB3 . 21059 1
103 . 1 1 12 12 LEU HD11 H 1 0.878 0.006 . . . . . . . 12 LEU MD1 . 21059 1
104 . 1 1 12 12 LEU HD12 H 1 0.878 0.006 . . . . . . . 12 LEU MD1 . 21059 1
105 . 1 1 12 12 LEU HD13 H 1 0.878 0.006 . . . . . . . 12 LEU MD1 . 21059 1
106 . 1 1 12 12 LEU HD21 H 1 0.848 0.004 . . . . . . . 12 LEU MD2 . 21059 1
107 . 1 1 12 12 LEU HD22 H 1 0.848 0.004 . . . . . . . 12 LEU MD2 . 21059 1
108 . 1 1 12 12 LEU HD23 H 1 0.848 0.004 . . . . . . . 12 LEU MD2 . 21059 1
109 . 1 1 12 12 LEU HG H 1 1.502 0.002 . 1 . . . . . 12 LEU HG . 21059 1
110 . 1 1 13 13 HIS H H 1 8.108 0.004 . 1 . . . . . 13 HIS H . 21059 1
111 . 1 1 13 13 HIS HA H 1 4.402 0.002 . 1 . . . . . 13 HIS HA . 21059 1
112 . 1 1 13 13 HIS HB2 H 1 3.244 0.001 . . . . . . . 13 HIS HB2 . 21059 1
113 . 1 1 13 13 HIS HB3 H 1 3.188 0.001 . . . . . . . 13 HIS HB3 . 21059 1
114 . 1 1 13 13 HIS HD2 H 1 7.13 0.002 . 1 . . . . . 13 HIS HD2 . 21059 1
115 . 1 1 14 14 SER H H 1 8.006 0.002 . 1 . . . . . 14 SER H . 21059 1
116 . 1 1 14 14 SER HA H 1 4.298 0.002 . 1 . . . . . 14 SER HA . 21059 1
117 . 1 1 14 14 SER HB2 H 1 3.931 0.002 . . . . . . . 14 SER HB2 . 21059 1
118 . 1 1 14 14 SER HB3 H 1 3.869 0.001 . . . . . . . 14 SER HB3 . 21059 1
119 . 1 1 15 15 ALA H H 1 8.162 0.005 . 1 . . . . . 15 ALA H . 21059 1
120 . 1 1 15 15 ALA HA H 1 4.116 0.001 . 1 . . . . . 15 ALA HA . 21059 1
121 . 1 1 15 15 ALA HB1 H 1 1.341 0.003 . 1 . . . . . 15 ALA MB . 21059 1
122 . 1 1 15 15 ALA HB2 H 1 1.341 0.003 . 1 . . . . . 15 ALA MB . 21059 1
123 . 1 1 15 15 ALA HB3 H 1 1.341 0.003 . 1 . . . . . 15 ALA MB . 21059 1
124 . 1 1 16 16 LYS H H 1 7.879 0.002 . 1 . . . . . 16 LYS H . 21059 1
125 . 1 1 16 16 LYS HA H 1 4.052 0.002 . 1 . . . . . 16 LYS HA . 21059 1
126 . 1 1 16 16 LYS HB2 H 1 1.792 0.000 . . . . . . . 16 LYS HB2 . 21059 1
127 . 1 1 16 16 LYS HB3 H 1 1.792 0.000 . . . . . . . 16 LYS HB3 . 21059 1
128 . 1 1 16 16 LYS HD2 H 1 1.464 0.000 . . . . . . . 16 LYS HD2 . 21059 1
129 . 1 1 16 16 LYS HD3 H 1 1.464 0.000 . . . . . . . 16 LYS HD3 . 21059 1
130 . 1 1 16 16 LYS HE2 H 1 2.867 0.003 . . . . . . . 16 LYS HE2 . 21059 1
131 . 1 1 16 16 LYS HE3 H 1 2.867 0.003 . . . . . . . 16 LYS HE3 . 21059 1
132 . 1 1 16 16 LYS HG2 H 1 1.657 0.002 . . . . . . . 16 LYS HG2 . 21059 1
133 . 1 1 16 16 LYS HG3 H 1 1.657 0.002 . . . . . . . 16 LYS HG3 . 21059 1
134 . 1 1 17 17 LYS H H 1 7.766 0.001 . 1 . . . . . 17 LYS H . 21059 1
135 . 1 1 17 17 LYS HA H 1 4.113 0.002 . 1 . . . . . 17 LYS HA . 21059 1
136 . 1 1 17 17 LYS HB2 H 1 1.655 0.002 . . . . . . . 17 LYS HB2 . 21059 1
137 . 1 1 17 17 LYS HB3 H 1 1.655 0.002 . . . . . . . 17 LYS HB3 . 21059 1
138 . 1 1 17 17 LYS HD2 H 1 1.224 0.008 . . . . . . . 17 LYS HD2 . 21059 1
139 . 1 1 17 17 LYS HD3 H 1 1.224 0.008 . . . . . . . 17 LYS HD3 . 21059 1
140 . 1 1 17 17 LYS HE2 H 1 2.937 0.000 . . . . . . . 17 LYS HE2 . 21059 1
141 . 1 1 17 17 LYS HE3 H 1 2.937 0.000 . . . . . . . 17 LYS HE3 . 21059 1
142 . 1 1 17 17 LYS HG2 H 1 1.343 0.005 . . . . . . . 17 LYS HG2 . 21059 1
143 . 1 1 17 17 LYS HG3 H 1 1.343 0.005 . . . . . . . 17 LYS HG3 . 21059 1
144 . 1 1 18 18 PHE H H 1 7.868 0.002 . 1 . . . . . 18 PHE H . 21059 1
145 . 1 1 18 18 PHE HA H 1 4.457 0.001 . 1 . . . . . 18 PHE HA . 21059 1
146 . 1 1 18 18 PHE HB2 H 1 3.204 0.003 . . . . . . . 18 PHE HB2 . 21059 1
147 . 1 1 18 18 PHE HB3 H 1 3.01 0.003 . . . . . . . 18 PHE HB3 . 21059 1
148 . 1 1 18 18 PHE HD1 H 1 7.295 0.005 . . . . . . . 18 PHE HD1 . 21059 1
149 . 1 1 18 18 PHE HD2 H 1 7.295 0.005 . . . . . . . 18 PHE HD2 . 21059 1
150 . 1 1 18 18 PHE HE1 H 1 7.045 0.001 . . . . . . . 18 PHE HE1 . 21059 1
151 . 1 1 18 18 PHE HE2 H 1 7.045 0.001 . . . . . . . 18 PHE HE2 . 21059 1
stop_
save_