###################################
# 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 25769
_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' . . . 25769 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 GLY HA2 H 1 3.850 0.008 . 2 . . . A 1 GLY HA2 . 25769 1
2 . 1 1 1 1 GLY HA3 H 1 3.850 0.008 . 2 . . . A 1 GLY HA3 . 25769 1
3 . 1 1 2 2 ILE HA H 1 4.140 -0.035 . 1 . . . A 2 ILE HA . 25769 1
4 . 1 1 2 2 ILE HB H 1 1.795 0.002 . 1 . . . A 2 ILE HB . 25769 1
5 . 1 1 2 2 ILE HG12 H 1 1.390 0.008 . 2 . . . A 2 ILE HG12 . 25769 1
6 . 1 1 2 2 ILE HG13 H 1 1.390 0.008 . 2 . . . A 2 ILE HG13 . 25769 1
7 . 1 1 2 2 ILE HD11 H 1 0.884 -0.035 . 1 . . . A 2 ILE HD11 . 25769 1
8 . 1 1 2 2 ILE HD12 H 1 0.884 -0.035 . 1 . . . A 2 ILE HD12 . 25769 1
9 . 1 1 2 2 ILE HD13 H 1 0.884 -0.035 . 1 . . . A 2 ILE HD13 . 25769 1
10 . 1 1 3 3 PHE HA H 1 4.690 0.004 . 1 . . . A 3 PHE HA . 25769 1
11 . 1 1 3 3 PHE HB2 H 1 3.105 0.001 . 2 . . . A 3 PHE HB2 . 25769 1
12 . 1 1 3 3 PHE HB3 H 1 3.105 0.001 . 2 . . . A 3 PHE HB3 . 25769 1
13 . 1 1 3 3 PHE HD1 H 1 7.256 0.041 . 3 . . . A 3 PHE HD1 . 25769 1
14 . 1 1 3 3 PHE HD2 H 1 7.256 0.041 . 3 . . . A 3 PHE HD2 . 25769 1
15 . 1 1 3 3 PHE HE1 H 1 7.402 0.007 . 3 . . . A 3 PHE HE1 . 25769 1
16 . 1 1 3 3 PHE HE2 H 1 7.402 0.007 . 3 . . . A 3 PHE HE2 . 25769 1
17 . 1 1 4 4 SER HA H 1 4.400 0.003 . 1 . . . A 4 SER HA . 25769 1
18 . 1 1 4 4 SER HB2 H 1 3.825 -0.019 . 2 . . . A 4 SER HB2 . 25769 1
19 . 1 1 4 4 SER HB3 H 1 3.825 -0.019 . 2 . . . A 4 SER HB3 . 25769 1
20 . 1 1 5 5 LYS HA H 1 4.290 0.007 . 1 . . . A 5 LYS HA . 25769 1
21 . 1 1 5 5 LYS HB2 H 1 1.804 0.003 . 2 . . . A 5 LYS HB2 . 25769 1
22 . 1 1 5 5 LYS HB3 H 1 1.804 0.003 . 2 . . . A 5 LYS HB3 . 25769 1
23 . 1 1 5 5 LYS HG2 H 1 1.412 0.003 . 2 . . . A 5 LYS HG2 . 25769 1
24 . 1 1 5 5 LYS HG3 H 1 1.412 0.003 . 2 . . . A 5 LYS HG3 . 25769 1
25 . 1 1 5 5 LYS HD2 H 1 1.620 0.001 . 2 . . . A 5 LYS HD2 . 25769 1
26 . 1 1 5 5 LYS HD3 H 1 1.620 0.001 . 2 . . . A 5 LYS HD3 . 25769 1
27 . 1 1 6 6 LEU HA H 1 4.310 0.010 . 1 . . . A 6 LEU HA . 25769 1
28 . 1 1 6 6 LEU HB2 H 1 1.564 0.010 . 2 . . . A 6 LEU HB2 . 25769 1
29 . 1 1 6 6 LEU HB3 H 1 1.564 0.010 . 2 . . . A 6 LEU HB3 . 25769 1
30 . 1 1 6 6 LEU HD11 H 1 0.905 0.008 . 2 . . . A 6 LEU HD11 . 25769 1
31 . 1 1 6 6 LEU HD12 H 1 0.905 0.008 . 2 . . . A 6 LEU HD12 . 25769 1
32 . 1 1 6 6 LEU HD13 H 1 0.905 0.008 . 2 . . . A 6 LEU HD13 . 25769 1
33 . 1 1 6 6 LEU HD21 H 1 0.905 0.008 . 2 . . . A 6 LEU HD21 . 25769 1
34 . 1 1 6 6 LEU HD22 H 1 0.905 0.008 . 2 . . . A 6 LEU HD22 . 25769 1
35 . 1 1 6 6 LEU HD23 H 1 0.905 0.008 . 2 . . . A 6 LEU HD23 . 25769 1
36 . 1 1 7 7 ALA HA H 1 4.130 0.012 . 1 . . . A 7 ALA HA . 25769 1
37 . 1 1 7 7 ALA HB1 H 1 1.320 0.004 . 1 . . . A 7 ALA HB1 . 25769 1
38 . 1 1 7 7 ALA HB2 H 1 1.320 0.004 . 1 . . . A 7 ALA HB2 . 25769 1
39 . 1 1 7 7 ALA HB3 H 1 1.320 0.004 . 1 . . . A 7 ALA HB3 . 25769 1
40 . 1 1 8 8 GLY HA2 H 1 3.920 0.018 . 2 . . . A 8 GLY HA2 . 25769 1
41 . 1 1 8 8 GLY HA3 H 1 3.920 0.018 . 2 . . . A 8 GLY HA3 . 25769 1
42 . 1 1 9 9 LYS HA H 1 4.285 0.004 . 1 . . . A 9 LYS HA . 25769 1
43 . 1 1 9 9 LYS HB2 H 1 1.793 0.001 . 2 . . . A 9 LYS HB2 . 25769 1
44 . 1 1 9 9 LYS HB3 H 1 1.793 0.001 . 2 . . . A 9 LYS HB3 . 25769 1
45 . 1 1 9 9 LYS HG2 H 1 1.403 -0.003 . 2 . . . A 9 LYS HG2 . 25769 1
46 . 1 1 9 9 LYS HG3 H 1 1.403 -0.003 . 2 . . . A 9 LYS HG3 . 25769 1
47 . 1 1 9 9 LYS HD2 H 1 1.560 -0.004 . 2 . . . A 9 LYS HD2 . 25769 1
48 . 1 1 9 9 LYS HD3 H 1 1.560 -0.004 . 2 . . . A 9 LYS HD3 . 25769 1
49 . 1 1 10 10 LYS HA H 1 4.220 0.002 . 1 . . . A 10 LYS HA . 25769 1
50 . 1 1 10 10 LYS HB2 H 1 1.804 0.001 . 2 . . . A 10 LYS HB2 . 25769 1
51 . 1 1 10 10 LYS HB3 H 1 1.804 0.001 . 2 . . . A 10 LYS HB3 . 25769 1
52 . 1 1 10 10 LYS HG2 H 1 1.384 0.002 . 2 . . . A 10 LYS HG2 . 25769 1
53 . 1 1 10 10 LYS HG3 H 1 1.384 0.002 . 2 . . . A 10 LYS HG3 . 25769 1
54 . 1 1 10 10 LYS HD2 H 1 1.642 0.008 . 2 . . . A 10 LYS HD2 . 25769 1
55 . 1 1 10 10 LYS HD3 H 1 1.642 0.008 . 2 . . . A 10 LYS HD3 . 25769 1
56 . 1 1 11 11 ILE HA H 1 4.175 0.008 . 1 . . . A 11 ILE HA . 25769 1
57 . 1 1 11 11 ILE HB H 1 1.824 0.004 . 1 . . . A 11 ILE HB . 25769 1
58 . 1 1 11 11 ILE HG12 H 1 1.345 0.004 . 2 . . . A 11 ILE HG12 . 25769 1
59 . 1 1 11 11 ILE HG13 H 1 1.345 0.004 . 2 . . . A 11 ILE HG13 . 25769 1
60 . 1 1 11 11 ILE HD11 H 1 0.842 0.005 . 1 . . . A 11 ILE HD11 . 25769 1
61 . 1 1 11 11 ILE HD12 H 1 0.842 0.005 . 1 . . . A 11 ILE HD12 . 25769 1
62 . 1 1 11 11 ILE HD13 H 1 0.842 0.005 . 1 . . . A 11 ILE HD13 . 25769 1
63 . 1 1 12 12 LYS HA H 1 4.100 0.002 . 1 . . . A 12 LYS HA . 25769 1
64 . 1 1 12 12 LYS HB2 H 1 1.794 0.004 . 2 . . . A 12 LYS HB2 . 25769 1
65 . 1 1 12 12 LYS HB3 H 1 1.794 0.004 . 2 . . . A 12 LYS HB3 . 25769 1
66 . 1 1 12 12 LYS HG2 H 1 1.354 0.001 . 2 . . . A 12 LYS HG2 . 25769 1
67 . 1 1 12 12 LYS HG3 H 1 1.354 0.001 . 2 . . . A 12 LYS HG3 . 25769 1
68 . 1 1 12 12 LYS HD2 H 1 1.664 0.004 . 2 . . . A 12 LYS HD2 . 25769 1
69 . 1 1 12 12 LYS HD3 H 1 1.664 0.004 . 2 . . . A 12 LYS HD3 . 25769 1
70 . 1 1 13 13 ASN HA H 1 4.570 0.003 . 1 . . . A 13 ASN HA . 25769 1
71 . 1 1 13 13 ASN HB2 H 1 2.864 0.001 . 2 . . . A 13 ASN HB2 . 25769 1
72 . 1 1 13 13 ASN HB3 H 1 2.864 0.001 . 2 . . . A 13 ASN HB3 . 25769 1
73 . 1 1 14 14 LEU HA H 1 4.315 0.003 . 1 . . . A 14 LEU HA . 25769 1
74 . 1 1 14 14 LEU HB2 H 1 1.546 0.002 . 2 . . . A 14 LEU HB2 . 25769 1
75 . 1 1 14 14 LEU HB3 H 1 1.546 0.002 . 2 . . . A 14 LEU HB3 . 25769 1
76 . 1 1 14 14 LEU HD11 H 1 0.945 0.003 . 2 . . . A 14 LEU HD11 . 25769 1
77 . 1 1 14 14 LEU HD12 H 1 0.945 0.003 . 2 . . . A 14 LEU HD12 . 25769 1
78 . 1 1 14 14 LEU HD13 H 1 0.945 0.003 . 2 . . . A 14 LEU HD13 . 25769 1
79 . 1 1 14 14 LEU HD21 H 1 0.945 0.003 . 2 . . . A 14 LEU HD21 . 25769 1
80 . 1 1 14 14 LEU HD22 H 1 0.945 0.003 . 2 . . . A 14 LEU HD22 . 25769 1
81 . 1 1 14 14 LEU HD23 H 1 0.945 0.003 . 2 . . . A 14 LEU HD23 . 25769 1
82 . 1 1 15 15 LEU HA H 1 4.420 0.002 . 1 . . . A 15 LEU HA . 25769 1
83 . 1 1 15 15 LEU HB2 H 1 1.512 0.003 . 2 . . . A 15 LEU HB2 . 25769 1
84 . 1 1 15 15 LEU HB3 H 1 1.512 0.003 . 2 . . . A 15 LEU HB3 . 25769 1
85 . 1 1 15 15 LEU HD11 H 1 0.856 0.001 . 2 . . . A 15 LEU HD11 . 25769 1
86 . 1 1 15 15 LEU HD12 H 1 0.856 0.001 . 2 . . . A 15 LEU HD12 . 25769 1
87 . 1 1 15 15 LEU HD13 H 1 0.856 0.001 . 2 . . . A 15 LEU HD13 . 25769 1
88 . 1 1 15 15 LEU HD21 H 1 0.856 0.001 . 2 . . . A 15 LEU HD21 . 25769 1
89 . 1 1 15 15 LEU HD22 H 1 0.856 0.001 . 2 . . . A 15 LEU HD22 . 25769 1
90 . 1 1 15 15 LEU HD23 H 1 0.856 0.001 . 2 . . . A 15 LEU HD23 . 25769 1
91 . 1 1 16 16 ILE HA H 1 4.170 0.002 . 1 . . . A 16 ILE HA . 25769 1
92 . 1 1 16 16 ILE HB H 1 1.778 0.002 . 1 . . . A 16 ILE HB . 25769 1
93 . 1 1 16 16 ILE HG12 H 1 1.410 0.002 . 2 . . . A 16 ILE HG12 . 25769 1
94 . 1 1 16 16 ILE HG13 H 1 1.410 0.002 . 2 . . . A 16 ILE HG13 . 25769 1
95 . 1 1 16 16 ILE HD11 H 1 0.801 0.002 . 1 . . . A 16 ILE HD11 . 25769 1
96 . 1 1 16 16 ILE HD12 H 1 0.801 0.002 . 1 . . . A 16 ILE HD12 . 25769 1
97 . 1 1 16 16 ILE HD13 H 1 0.801 0.002 . 1 . . . A 16 ILE HD13 . 25769 1
98 . 1 1 17 17 SER HA H 1 4.200 0.002 . 1 . . . A 17 SER HA . 25769 1
99 . 1 1 17 17 SER HB2 H 1 3.875 0.002 . 2 . . . A 17 SER HB2 . 25769 1
100 . 1 1 17 17 SER HB3 H 1 3.875 0.002 . 2 . . . A 17 SER HB3 . 25769 1
101 . 1 1 18 18 GLY HA2 H 1 3.950 0.002 . 2 . . . A 18 GLY HA2 . 25769 1
102 . 1 1 18 18 GLY HA3 H 1 3.950 0.002 . 2 . . . A 18 GLY HA3 . 25769 1
103 . 1 1 19 19 LEU HA H 1 4.310 0.002 . 1 . . . A 19 LEU HA . 25769 1
104 . 1 1 19 19 LEU HB2 H 1 1.491 0.001 . 2 . . . A 19 LEU HB2 . 25769 1
105 . 1 1 19 19 LEU HB3 H 1 1.491 0.001 . 2 . . . A 19 LEU HB3 . 25769 1
106 . 1 1 19 19 LEU HD11 H 1 0.921 0.002 . 2 . . . A 19 LEU HD11 . 25769 1
107 . 1 1 19 19 LEU HD12 H 1 0.921 0.002 . 2 . . . A 19 LEU HD12 . 25769 1
108 . 1 1 19 19 LEU HD13 H 1 0.921 0.002 . 2 . . . A 19 LEU HD13 . 25769 1
109 . 1 1 19 19 LEU HD21 H 1 0.921 0.002 . 2 . . . A 19 LEU HD21 . 25769 1
110 . 1 1 19 19 LEU HD22 H 1 0.921 0.002 . 2 . . . A 19 LEU HD22 . 25769 1
111 . 1 1 19 19 LEU HD23 H 1 0.921 0.002 . 2 . . . A 19 LEU HD23 . 25769 1
112 . 1 1 20 20 LYS HA H 1 4.000 0.002 . 1 . . . A 20 LYS HA . 25769 1
113 . 1 1 20 20 LYS HB2 H 1 1.754 0.002 . 2 . . . A 20 LYS HB2 . 25769 1
114 . 1 1 20 20 LYS HB3 H 1 1.754 0.002 . 2 . . . A 20 LYS HB3 . 25769 1
115 . 1 1 20 20 LYS HG2 H 1 1.384 0.001 . 2 . . . A 20 LYS HG2 . 25769 1
116 . 1 1 20 20 LYS HG3 H 1 1.384 0.001 . 2 . . . A 20 LYS HG3 . 25769 1
117 . 1 1 20 20 LYS HD2 H 1 1.601 0.003 . 2 . . . A 20 LYS HD2 . 25769 1
118 . 1 1 20 20 LYS HD3 H 1 1.601 0.003 . 2 . . . A 20 LYS HD3 . 25769 1
119 . 1 1 21 21 GLY HA2 H 1 3.790 0.002 . 2 . . . A 21 GLY HA2 . 25769 1
120 . 1 1 21 21 GLY HA3 H 1 3.790 0.002 . 2 . . . A 21 GLY HA3 . 25769 1
stop_
save_