###################################
# 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_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 30976
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 $chem_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 TOCSY' . . . 30976 1
2 '2D 1H-1H NOESY' . . . 30976 1
3 '2D 1H-13C HSQC' . . . 30976 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 1 1 LEU HA H 1 4.241 0.001 . 1 . . . . A 1 LEU HA . 30976 1
2 . 1 . 1 1 1 LEU CA C 13 56.391 0.000 . 1 . . . . A 1 LEU CA . 30976 1
3 . 1 . 1 2 2 LYS H H 1 8.503 0.003 . 1 . . . . A 2 LYS H . 30976 1
4 . 1 . 1 2 2 LYS HA H 1 4.257 0.000 . 1 . . . . A 2 LYS HA . 30976 1
5 . 1 . 1 2 2 LYS HB2 H 1 1.918 0.001 . 1 . . . . A 2 LYS HB2 . 30976 1
6 . 1 . 1 2 2 LYS HB3 H 1 1.918 0.001 . 1 . . . . A 2 LYS HB3 . 30976 1
7 . 1 . 1 2 2 LYS HG2 H 1 1.496 0.001 . 1 . . . . A 2 LYS HG2 . 30976 1
8 . 1 . 1 2 2 LYS HG3 H 1 1.496 0.001 . 1 . . . . A 2 LYS HG3 . 30976 1
9 . 1 . 1 2 2 LYS HD2 H 1 1.710 0.001 . 1 . . . . A 2 LYS HD2 . 30976 1
10 . 1 . 1 2 2 LYS HD3 H 1 1.710 0.001 . 1 . . . . A 2 LYS HD3 . 30976 1
11 . 1 . 1 2 2 LYS HE2 H 1 3.014 0.000 . 1 . . . . A 2 LYS HE2 . 30976 1
12 . 1 . 1 2 2 LYS HE3 H 1 3.014 0.000 . 1 . . . . A 2 LYS HE3 . 30976 1
13 . 1 . 1 2 2 LYS CA C 13 56.826 0.000 . 1 . . . . A 2 LYS CA . 30976 1
14 . 1 . 1 2 2 LYS CB C 13 32.578 0.000 . 1 . . . . A 2 LYS CB . 30976 1
15 . 1 . 1 2 2 LYS CG C 13 24.748 0.000 . 1 . . . . A 2 LYS CG . 30976 1
16 . 1 . 1 2 2 LYS CE C 13 41.973 0.000 . 1 . . . . A 2 LYS CE . 30976 1
17 . 1 . 1 3 3 LYS H H 1 8.099 0.001 . 1 . . . . A 3 LYS H . 30976 1
18 . 1 . 1 3 3 LYS HA H 1 3.858 0.002 . 1 . . . . A 3 LYS HA . 30976 1
19 . 1 . 1 3 3 LYS HB2 H 1 1.776 0.001 . 1 . . . . A 3 LYS HB2 . 30976 1
20 . 1 . 1 3 3 LYS HB3 H 1 1.776 0.001 . 1 . . . . A 3 LYS HB3 . 30976 1
21 . 1 . 1 3 3 LYS HG2 H 1 1.388 0.001 . 1 . . . . A 3 LYS HG2 . 30976 1
22 . 1 . 1 3 3 LYS HG3 H 1 1.388 0.001 . 1 . . . . A 3 LYS HG3 . 30976 1
23 . 1 . 1 3 3 LYS HD2 H 1 1.546 0.000 . 1 . . . . A 3 LYS HD2 . 30976 1
24 . 1 . 1 3 3 LYS HD3 H 1 1.546 0.000 . 1 . . . . A 3 LYS HD3 . 30976 1
25 . 1 . 1 3 3 LYS HE2 H 1 3.027 0.000 . 1 . . . . A 3 LYS HE2 . 30976 1
26 . 1 . 1 3 3 LYS HE3 H 1 3.027 0.000 . 1 . . . . A 3 LYS HE3 . 30976 1
27 . 1 . 1 3 3 LYS CA C 13 57.217 0.000 . 1 . . . . A 3 LYS CA . 30976 1
28 . 1 . 1 3 3 LYS CB C 13 32.080 0.000 . 1 . . . . A 3 LYS CB . 30976 1
29 . 1 . 1 3 3 LYS CG C 13 24.501 0.000 . 1 . . . . A 3 LYS CG . 30976 1
30 . 1 . 1 3 3 LYS CE C 13 41.978 0.000 . 1 . . . . A 3 LYS CE . 30976 1
31 . 1 . 1 4 4 LEU H H 1 8.000 0.003 . 1 . . . . A 4 LEU H . 30976 1
32 . 1 . 1 4 4 LEU HA H 1 4.113 0.005 . 1 . . . . A 4 LEU HA . 30976 1
33 . 1 . 1 4 4 LEU HB2 H 1 1.567 0.001 . 1 . . . . A 4 LEU HB2 . 30976 1
34 . 1 . 1 4 4 LEU HB3 H 1 1.567 0.001 . 1 . . . . A 4 LEU HB3 . 30976 1
35 . 1 . 1 4 4 LEU HG H 1 1.681 0.001 . 1 . . . . A 4 LEU HG . 30976 1
36 . 1 . 1 4 4 LEU HD11 H 1 0.833 0.001 . 2 . . . . A 4 LEU HD11 . 30976 1
37 . 1 . 1 4 4 LEU HD12 H 1 0.833 0.001 . 2 . . . . A 4 LEU HD12 . 30976 1
38 . 1 . 1 4 4 LEU HD13 H 1 0.833 0.001 . 2 . . . . A 4 LEU HD13 . 30976 1
39 . 1 . 1 4 4 LEU HD21 H 1 0.907 0.001 . 2 . . . . A 4 LEU HD21 . 30976 1
40 . 1 . 1 4 4 LEU HD22 H 1 0.907 0.001 . 2 . . . . A 4 LEU HD22 . 30976 1
41 . 1 . 1 4 4 LEU HD23 H 1 0.907 0.001 . 2 . . . . A 4 LEU HD23 . 30976 1
42 . 1 . 1 4 4 LEU CA C 13 56.769 0.000 . 1 . . . . A 4 LEU CA . 30976 1
43 . 1 . 1 4 4 LEU CB C 13 41.558 0.000 . 1 . . . . A 4 LEU CB . 30976 1
44 . 1 . 1 4 4 LEU CG C 13 26.966 0.000 . 1 . . . . A 4 LEU CG . 30976 1
45 . 1 . 1 4 4 LEU CD1 C 13 23.776 0.000 . 2 . . . . A 4 LEU CD1 . 30976 1
46 . 1 . 1 4 4 LEU CD2 C 13 25.060 0.000 . 2 . . . . A 4 LEU CD2 . 30976 1
47 . 1 . 1 5 5 TRP H H 1 7.492 0.003 . 1 . . . . A 5 TRP H . 30976 1
48 . 1 . 1 5 5 TRP HA H 1 4.440 0.002 . 1 . . . . A 5 TRP HA . 30976 1
49 . 1 . 1 5 5 TRP HB2 H 1 3.288 0.003 . 1 . . . . A 5 TRP HB2 . 30976 1
50 . 1 . 1 5 5 TRP HB3 H 1 3.288 0.003 . 1 . . . . A 5 TRP HB3 . 30976 1
51 . 1 . 1 5 5 TRP HD1 H 1 7.265 0.003 . 1 . . . . A 5 TRP HD1 . 30976 1
52 . 1 . 1 5 5 TRP HE1 H 1 9.987 0.001 . 1 . . . . A 5 TRP HE1 . 30976 1
53 . 1 . 1 5 5 TRP HE3 H 1 7.484 0.001 . 1 . . . . A 5 TRP HE3 . 30976 1
54 . 1 . 1 5 5 TRP HZ2 H 1 7.455 0.001 . 1 . . . . A 5 TRP HZ2 . 30976 1
55 . 1 . 1 5 5 TRP HZ3 H 1 7.027 0.001 . 1 . . . . A 5 TRP HZ3 . 30976 1
56 . 1 . 1 5 5 TRP HH2 H 1 7.128 0.001 . 1 . . . . A 5 TRP HH2 . 30976 1
57 . 1 . 1 5 5 TRP CA C 13 58.407 0.000 . 1 . . . . A 5 TRP CA . 30976 1
58 . 1 . 1 5 5 TRP CD1 C 13 127.094 0.000 . 1 . . . . A 5 TRP CD1 . 30976 1
59 . 1 . 1 5 5 TRP CE3 C 13 120.055 0.000 . 1 . . . . A 5 TRP CE3 . 30976 1
60 . 1 . 1 5 5 TRP CZ2 C 13 114.236 0.000 . 1 . . . . A 5 TRP CZ2 . 30976 1
61 . 1 . 1 5 5 TRP CZ3 C 13 121.434 0.000 . 1 . . . . A 5 TRP CZ3 . 30976 1
62 . 1 . 1 5 5 TRP CH2 C 13 124.011 0.000 . 1 . . . . A 5 TRP CH2 . 30976 1
63 . 1 . 1 6 6 ARG H H 1 7.611 0.001 . 1 . . . . A 6 ARG H . 30976 1
64 . 1 . 1 6 6 ARG HA H 1 3.916 0.002 . 1 . . . . A 6 ARG HA . 30976 1
65 . 1 . 1 6 6 ARG HB2 H 1 1.697 0.001 . 1 . . . . A 6 ARG HB2 . 30976 1
66 . 1 . 1 6 6 ARG HB3 H 1 1.697 0.001 . 1 . . . . A 6 ARG HB3 . 30976 1
67 . 1 . 1 6 6 ARG HG2 H 1 1.367 0.001 . 1 . . . . A 6 ARG HG2 . 30976 1
68 . 1 . 1 6 6 ARG HG3 H 1 1.367 0.001 . 1 . . . . A 6 ARG HG3 . 30976 1
69 . 1 . 1 6 6 ARG HD2 H 1 3.056 0.001 . 1 . . . . A 6 ARG HD2 . 30976 1
70 . 1 . 1 6 6 ARG HD3 H 1 3.056 0.001 . 1 . . . . A 6 ARG HD3 . 30976 1
71 . 1 . 1 6 6 ARG HE H 1 7.020 0.008 . 1 . . . . A 6 ARG HE . 30976 1
72 . 1 . 1 6 6 ARG CA C 13 58.202 0.000 . 1 . . . . A 6 ARG CA . 30976 1
73 . 1 . 1 6 6 ARG CB C 13 28.941 0.000 . 1 . . . . A 6 ARG CB . 30976 1
74 . 1 . 1 6 6 ARG CG C 13 31.077 0.000 . 1 . . . . A 6 ARG CG . 30976 1
75 . 1 . 1 6 6 ARG CD C 13 43.193 0.000 . 1 . . . . A 6 ARG CD . 30976 1
76 . 1 . 1 7 7 PHE H H 1 7.672 0.001 . 1 . . . . A 7 PHE H . 30976 1
77 . 1 . 1 7 7 PHE HA H 1 4.373 0.001 . 1 . . . . A 7 PHE HA . 30976 1
78 . 1 . 1 7 7 PHE HB2 H 1 3.120 0.000 . 2 . . . . A 7 PHE HB2 . 30976 1
79 . 1 . 1 7 7 PHE HB3 H 1 3.209 0.000 . 2 . . . . A 7 PHE HB3 . 30976 1
80 . 1 . 1 7 7 PHE CA C 13 59.376 0.000 . 1 . . . . A 7 PHE CA . 30976 1
81 . 1 . 1 8 8 LEU H H 1 7.777 0.008 . 1 . . . . A 8 LEU H . 30976 1
82 . 1 . 1 8 8 LEU HA H 1 4.036 0.001 . 1 . . . . A 8 LEU HA . 30976 1
83 . 1 . 1 8 8 LEU HB2 H 1 1.854 0.001 . 1 . . . . A 8 LEU HB2 . 30976 1
84 . 1 . 1 8 8 LEU HB3 H 1 1.854 0.001 . 1 . . . . A 8 LEU HB3 . 30976 1
85 . 1 . 1 8 8 LEU HD11 H 1 0.922 0.000 . 2 . . . . A 8 LEU HD11 . 30976 1
86 . 1 . 1 8 8 LEU HD12 H 1 0.922 0.000 . 2 . . . . A 8 LEU HD12 . 30976 1
87 . 1 . 1 8 8 LEU HD13 H 1 0.922 0.000 . 2 . . . . A 8 LEU HD13 . 30976 1
88 . 1 . 1 8 8 LEU HD21 H 1 0.979 0.000 . 2 . . . . A 8 LEU HD21 . 30976 1
89 . 1 . 1 8 8 LEU HD22 H 1 0.979 0.000 . 2 . . . . A 8 LEU HD22 . 30976 1
90 . 1 . 1 8 8 LEU HD23 H 1 0.979 0.000 . 2 . . . . A 8 LEU HD23 . 30976 1
91 . 1 . 1 8 8 LEU CA C 13 56.710 0.000 . 1 . . . . A 8 LEU CA . 30976 1
92 . 1 . 1 8 8 LEU CB C 13 42.017 0.000 . 1 . . . . A 8 LEU CB . 30976 1
93 . 1 . 1 8 8 LEU CD1 C 13 25.376 0.000 . 2 . . . . A 8 LEU CD1 . 30976 1
94 . 1 . 1 8 8 LEU CD2 C 13 25.179 0.000 . 2 . . . . A 8 LEU CD2 . 30976 1
95 . 1 . 1 9 9 LYS H H 1 7.646 0.001 . 1 . . . . A 9 LYS H . 30976 1
96 . 1 . 1 9 9 LYS HA H 1 4.251 0.000 . 1 . . . . A 9 LYS HA . 30976 1
97 . 1 . 1 9 9 LYS HB2 H 1 1.876 0.000 . 1 . . . . A 9 LYS HB2 . 30976 1
98 . 1 . 1 9 9 LYS HB3 H 1 1.876 0.000 . 1 . . . . A 9 LYS HB3 . 30976 1
99 . 1 . 1 9 9 LYS HG2 H 1 1.493 0.001 . 1 . . . . A 9 LYS HG2 . 30976 1
100 . 1 . 1 9 9 LYS HG3 H 1 1.493 0.001 . 1 . . . . A 9 LYS HG3 . 30976 1
101 . 1 . 1 9 9 LYS HD2 H 1 1.693 0.002 . 1 . . . . A 9 LYS HD2 . 30976 1
102 . 1 . 1 9 9 LYS HD3 H 1 1.693 0.002 . 1 . . . . A 9 LYS HD3 . 30976 1
103 . 1 . 1 9 9 LYS CA C 13 56.452 0.000 . 1 . . . . A 9 LYS CA . 30976 1
104 . 1 . 1 9 9 LYS CB C 13 32.326 0.000 . 1 . . . . A 9 LYS CB . 30976 1
105 . 1 . 1 10 10 LYS H H 1 7.627 0.001 . 1 . . . . A 10 LYS H . 30976 1
106 . 1 . 1 10 10 LYS HA H 1 4.093 0.001 . 1 . . . . A 10 LYS HA . 30976 1
107 . 1 . 1 10 10 LYS HB2 H 1 1.847 0.000 . 1 . . . . A 10 LYS HB2 . 30976 1
108 . 1 . 1 10 10 LYS HB3 H 1 1.847 0.000 . 1 . . . . A 10 LYS HB3 . 30976 1
109 . 1 . 1 10 10 LYS HG2 H 1 1.533 0.000 . 1 . . . . A 10 LYS HG2 . 30976 1
110 . 1 . 1 10 10 LYS HG3 H 1 1.533 0.000 . 1 . . . . A 10 LYS HG3 . 30976 1
111 . 1 . 1 10 10 LYS HD2 H 1 1.748 0.000 . 1 . . . . A 10 LYS HD2 . 30976 1
112 . 1 . 1 10 10 LYS HD3 H 1 1.748 0.000 . 1 . . . . A 10 LYS HD3 . 30976 1
113 . 1 . 1 10 10 LYS HE2 H 1 2.965 0.001 . 2 . . . . A 10 LYS HE2 . 30976 1
114 . 1 . 1 10 10 LYS HE3 H 1 2.965 0.000 . 2 . . . . A 10 LYS HE3 . 30976 1
115 . 1 . 1 10 10 LYS CA C 13 56.830 0.000 . 1 . . . . A 10 LYS CA . 30976 1
116 . 1 . 1 10 10 LYS CB C 13 32.324 0.000 . 1 . . . . A 10 LYS CB . 30976 1
117 . 1 . 1 10 10 LYS CE C 13 41.917 0.000 . 1 . . . . A 10 LYS CE . 30976 1
118 . 1 . 1 11 11 LEU H H 1 7.436 0.001 . 1 . . . . A 11 LEU H . 30976 1
119 . 1 . 1 11 11 LEU HA H 1 4.242 0.003 . 1 . . . . A 11 LEU HA . 30976 1
120 . 1 . 1 11 11 LEU HB2 H 1 1.795 0.001 . 1 . . . . A 11 LEU HB2 . 30976 1
121 . 1 . 1 11 11 LEU HB3 H 1 1.795 0.001 . 1 . . . . A 11 LEU HB3 . 30976 1
122 . 1 . 1 11 11 LEU HD11 H 1 0.943 0.002 . 2 . . . . A 11 LEU HD11 . 30976 1
123 . 1 . 1 11 11 LEU HD12 H 1 0.943 0.002 . 2 . . . . A 11 LEU HD12 . 30976 1
124 . 1 . 1 11 11 LEU HD13 H 1 0.943 0.002 . 2 . . . . A 11 LEU HD13 . 30976 1
125 . 1 . 1 11 11 LEU HD21 H 1 0.849 0.001 . 2 . . . . A 11 LEU HD21 . 30976 1
126 . 1 . 1 11 11 LEU HD22 H 1 0.849 0.001 . 2 . . . . A 11 LEU HD22 . 30976 1
127 . 1 . 1 11 11 LEU HD23 H 1 0.849 0.001 . 2 . . . . A 11 LEU HD23 . 30976 1
128 . 1 . 1 11 11 LEU CA C 13 56.391 0.000 . 1 . . . . A 11 LEU CA . 30976 1
129 . 1 . 1 11 11 LEU CB C 13 42.145 0.000 . 1 . . . . A 11 LEU CB . 30976 1
130 . 1 . 1 11 11 LEU CD1 C 13 25.443 0.000 . 2 . . . . A 11 LEU CD1 . 30976 1
131 . 1 . 1 11 11 LEU CD2 C 13 23.097 0.000 . 2 . . . . A 11 LEU CD2 . 30976 1
stop_
save_