###################################
# 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_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode shift_set_1
_Assigned_chem_shift_list.Entry_ID 6880
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $ex-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 '1H-15N HSQC' 1 $sample_1 . 6880 1
2 '3D TOCSY-HSQC' 1 $sample_1 . 6880 1
3 '3D NOESY-HSQC' 1 $sample_1 . 6880 1
4 '15N T1' 1 $sample_1 . 6880 1
5 '15N T2' 1 $sample_1 . 6880 1
6 '1H,15N NOE' 1 $sample_1 . 6880 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 3 3 THR H H 1 7.94 0.05 . 1 . . . . . . . . . 6880 1
2 . 1 1 3 3 THR HA H 1 4.78 0.05 . 1 . . . . . . . . . 6880 1
3 . 1 1 3 3 THR HB H 1 4.02 0.05 . 2 . . . . . . . . . 6880 1
4 . 1 1 3 3 THR HG21 H 1 1.15 0.05 . 1 . . . . . . . . . 6880 1
5 . 1 1 3 3 THR HG22 H 1 1.15 0.05 . 1 . . . . . . . . . 6880 1
6 . 1 1 3 3 THR HG23 H 1 1.15 0.05 . 1 . . . . . . . . . 6880 1
7 . 1 1 3 3 THR N N 15 118.95 0.05 . 1 . . . . . . . . . 6880 1
8 . 1 1 4 4 CYS H H 1 8.60 0.05 . 1 . . . . . . . . . 6880 1
9 . 1 1 4 4 CYS HA H 1 4.63 0.05 . 1 . . . . . . . . . 6880 1
10 . 1 1 4 4 CYS HB2 H 1 2.43 0.05 . 2 . . . . . . . . . 6880 1
11 . 1 1 4 4 CYS HB3 H 1 2.83 0.05 . 2 . . . . . . . . . 6880 1
12 . 1 1 4 4 CYS N N 15 120.78 0.05 . 1 . . . . . . . . . 6880 1
13 . 1 1 5 5 GLU H H 1 8.46 0.05 . 1 . . . . . . . . . 6880 1
14 . 1 1 5 5 GLU HA H 1 4.70 0.05 . 1 . . . . . . . . . 6880 1
15 . 1 1 5 5 GLU HB2 H 1 1.98 0.05 . 2 . . . . . . . . . 6880 1
16 . 1 1 5 5 GLU HB3 H 1 2.26 0.05 . 2 . . . . . . . . . 6880 1
17 . 1 1 5 5 GLU N N 15 121.14 0.05 . 1 . . . . . . . . . 6880 1
18 . 1 1 7 7 GLY H H 1 7.48 0.05 . 1 . . . . . . . . . 6880 1
19 . 1 1 7 7 GLY HA2 H 1 3.74 0.05 . 2 . . . . . . . . . 6880 1
20 . 1 1 7 7 GLY HA3 H 1 4.24 0.05 . 2 . . . . . . . . . 6880 1
21 . 1 1 7 7 GLY N N 15 110.42 0.05 . 1 . . . . . . . . . 6880 1
22 . 1 1 8 8 THR H H 1 7.71 0.05 . 1 . . . . . . . . . 6880 1
23 . 1 1 8 8 THR HA H 1 4.62 0.05 . 1 . . . . . . . . . 6880 1
24 . 1 1 8 8 THR N N 15 111.47 0.05 . 1 . . . . . . . . . 6880 1
25 . 1 1 9 9 THR H H 1 8.52 0.05 . 1 . . . . . . . . . 6880 1
26 . 1 1 9 9 THR HA H 1 5.52 0.05 . 1 . . . . . . . . . 6880 1
27 . 1 1 9 9 THR HB H 1 4.03 0.05 . 2 . . . . . . . . . 6880 1
28 . 1 1 9 9 THR HG21 H 1 1.14 0.05 . 1 . . . . . . . . . 6880 1
29 . 1 1 9 9 THR HG22 H 1 1.14 0.05 . 1 . . . . . . . . . 6880 1
30 . 1 1 9 9 THR HG23 H 1 1.14 0.05 . 1 . . . . . . . . . 6880 1
31 . 1 1 9 9 THR N N 15 115.48 0.05 . 1 . . . . . . . . . 6880 1
32 . 1 1 10 10 PHE H H 1 8.93 0.05 . 1 . . . . . . . . . 6880 1
33 . 1 1 10 10 PHE HA H 1 5.05 0.05 . 1 . . . . . . . . . 6880 1
34 . 1 1 10 10 PHE HB2 H 1 3.13 0.05 . 2 . . . . . . . . . 6880 1
35 . 1 1 10 10 PHE N N 15 122.05 0.05 . 1 . . . . . . . . . 6880 1
36 . 1 1 11 11 LYS H H 1 8.71 0.05 . 1 . . . . . . . . . 6880 1
37 . 1 1 11 11 LYS HA H 1 4.76 0.05 . 1 . . . . . . . . . 6880 1
38 . 1 1 11 11 LYS HB2 H 1 1.78 0.05 . 2 . . . . . . . . . 6880 1
39 . 1 1 11 11 LYS N N 15 120.27 0.05 . 1 . . . . . . . . . 6880 1
40 . 1 1 12 12 ASP H H 1 8.08 0.05 . 1 . . . . . . . . . 6880 1
41 . 1 1 12 12 ASP HA H 1 4.77 0.05 . 1 . . . . . . . . . 6880 1
42 . 1 1 12 12 ASP HB2 H 1 2.47 0.05 . 2 . . . . . . . . . 6880 1
43 . 1 1 12 12 ASP HB3 H 1 2.63 0.05 . 2 . . . . . . . . . 6880 1
44 . 1 1 12 12 ASP N N 15 123.02 0.05 . 1 . . . . . . . . . 6880 1
45 . 1 1 15 15 ASN H H 1 8.51 0.05 . 1 . . . . . . . . . 6880 1
46 . 1 1 15 15 ASN HA H 1 4.81 0.05 . 1 . . . . . . . . . 6880 1
47 . 1 1 15 15 ASN HB2 H 1 2.59 0.05 . 2 . . . . . . . . . 6880 1
48 . 1 1 15 15 ASN HB3 H 1 2.96 0.05 . 2 . . . . . . . . . 6880 1
49 . 1 1 15 15 ASN N N 15 122.21 0.05 . 1 . . . . . . . . . 6880 1
50 . 1 1 16 16 THR H H 1 8.16 0.05 . 1 . . . . . . . . . 6880 1
51 . 1 1 16 16 THR HA H 1 4.54 0.05 . 1 . . . . . . . . . 6880 1
52 . 1 1 16 16 THR HB H 1 3.91 0.05 . 2 . . . . . . . . . 6880 1
53 . 1 1 16 16 THR HG21 H 1 1.10 0.05 . 1 . . . . . . . . . 6880 1
54 . 1 1 16 16 THR HG22 H 1 1.10 0.05 . 1 . . . . . . . . . 6880 1
55 . 1 1 16 16 THR HG23 H 1 1.10 0.05 . 1 . . . . . . . . . 6880 1
56 . 1 1 16 16 THR N N 15 115.78 0.05 . 1 . . . . . . . . . 6880 1
57 . 1 1 17 17 CYS H H 1 8.97 0.05 . 1 . . . . . . . . . 6880 1
58 . 1 1 17 17 CYS HA H 1 5.21 0.05 . 1 . . . . . . . . . 6880 1
59 . 1 1 17 17 CYS HB2 H 1 1.92 0.39 . 2 . . . . . . . . . 6880 1
60 . 1 1 17 17 CYS HB3 H 1 1.09 0.39 . 2 . . . . . . . . . 6880 1
61 . 1 1 17 17 CYS N N 15 124.14 0.05 . 1 . . . . . . . . . 6880 1
62 . 1 1 18 18 ARG H H 1 8.58 0.05 . 1 . . . . . . . . . 6880 1
63 . 1 1 18 18 ARG HA H 1 4.97 0.05 . 1 . . . . . . . . . 6880 1
64 . 1 1 18 18 ARG HB2 H 1 1.68 0.05 . 2 . . . . . . . . . 6880 1
65 . 1 1 18 18 ARG HB3 H 1 1.80 0.05 . 2 . . . . . . . . . 6880 1
66 . 1 1 18 18 ARG HG2 H 1 1.50 0.05 . 2 . . . . . . . . . 6880 1
67 . 1 1 18 18 ARG N N 15 121.44 0.05 . 1 . . . . . . . . . 6880 1
68 . 1 1 19 19 CYS H H 1 9.51 0.05 . 1 . . . . . . . . . 6880 1
69 . 1 1 19 19 CYS HA H 1 4.77 0.05 . 1 . . . . . . . . . 6880 1
70 . 1 1 19 19 CYS HB2 H 1 2.93 0.05 . 2 . . . . . . . . . 6880 1
71 . 1 1 19 19 CYS HB3 H 1 3.38 0.05 . 2 . . . . . . . . . 6880 1
72 . 1 1 19 19 CYS N N 15 128.73 0.05 . 1 . . . . . . . . . 6880 1
73 . 1 1 20 20 GLY H H 1 9.18 0.05 . 1 . . . . . . . . . 6880 1
74 . 1 1 20 20 GLY HA2 H 1 4.26 0.05 . 1 . . . . . . . . . 6880 1
75 . 1 1 20 20 GLY HA3 H 1 4.10 0.16 . 2 . . . . . . . . . 6880 1
76 . 1 1 20 20 GLY N N 15 119.04 0.05 . 1 . . . . . . . . . 6880 1
77 . 1 1 22 22 ASP H H 1 7.93 0.05 . 1 . . . . . . . . . 6880 1
78 . 1 1 22 22 ASP HA H 1 4.53 0.05 . 1 . . . . . . . . . 6880 1
79 . 1 1 22 22 ASP N N 15 116.99 0.05 . 1 . . . . . . . . . 6880 1
80 . 1 1 23 23 GLY H H 1 7.84 0.05 . 1 . . . . . . . . . 6880 1
81 . 1 1 23 23 GLY HA2 H 1 4.03 0.05 . 2 . . . . . . . . . 6880 1
82 . 1 1 23 23 GLY HA3 H 1 4.21 0.05 . 2 . . . . . . . . . 6880 1
83 . 1 1 23 23 GLY N N 15 108.30 0.05 . 1 . . . . . . . . . 6880 1
84 . 1 1 24 24 LYS H H 1 7.93 0.05 . 1 . . . . . . . . . 6880 1
85 . 1 1 24 24 LYS HA H 1 5.08 0.05 . 1 . . . . . . . . . 6880 1
86 . 1 1 24 24 LYS HB2 H 1 1.50 0.05 . 2 . . . . . . . . . 6880 1
87 . 1 1 24 24 LYS HB3 H 1 2.02 0.05 . 2 . . . . . . . . . 6880 1
88 . 1 1 24 24 LYS HG2 H 1 1.35 0.05 . 2 . . . . . . . . . 6880 1
89 . 1 1 24 24 LYS N N 15 117.95 0.05 . 1 . . . . . . . . . 6880 1
90 . 1 1 26 26 ALA H H 1 8.70 0.05 . 1 . . . . . . . . . 6880 1
91 . 1 1 26 26 ALA HA H 1 4.76 0.05 . 1 . . . . . . . . . 6880 1
92 . 1 1 26 26 ALA HB1 H 1 1.39 0.05 . 1 . . . . . . . . . 6880 1
93 . 1 1 26 26 ALA HB2 H 1 1.39 0.05 . 1 . . . . . . . . . 6880 1
94 . 1 1 26 26 ALA HB3 H 1 1.39 0.05 . 1 . . . . . . . . . 6880 1
95 . 1 1 26 26 ALA N N 15 121.59 0.05 . 1 . . . . . . . . . 6880 1
96 . 1 1 27 27 ALA H H 1 8.11 0.05 . 1 . . . . . . . . . 6880 1
97 . 1 1 27 27 ALA HA H 1 4.76 0.05 . 1 . . . . . . . . . 6880 1
98 . 1 1 27 27 ALA HB1 H 1 1.39 0.05 . 1 . . . . . . . . . 6880 1
99 . 1 1 27 27 ALA HB2 H 1 1.39 0.05 . 1 . . . . . . . . . 6880 1
100 . 1 1 27 27 ALA HB3 H 1 1.39 0.05 . 1 . . . . . . . . . 6880 1
101 . 1 1 27 27 ALA N N 15 124.51 0.05 . 1 . . . . . . . . . 6880 1
102 . 1 1 29 29 THR H H 1 8.50 0.05 . 1 . . . . . . . . . 6880 1
103 . 1 1 29 29 THR HA H 1 4.28 0.05 . 1 . . . . . . . . . 6880 1
104 . 1 1 29 29 THR N N 15 113.82 0.05 . 1 . . . . . . . . . 6880 1
105 . 1 1 30 30 LEU H H 1 8.34 0.05 . 1 . . . . . . . . . 6880 1
106 . 1 1 30 30 LEU HA H 1 4.50 0.05 . 1 . . . . . . . . . 6880 1
107 . 1 1 30 30 LEU HB2 H 1 1.52 0.05 . 2 . . . . . . . . . 6880 1
108 . 1 1 30 30 LEU HB3 H 1 1.68 0.05 . 2 . . . . . . . . . 6880 1
109 . 1 1 30 30 LEU N N 15 123.06 0.05 . 1 . . . . . . . . . 6880 1
110 . 1 1 31 31 LYS H H 1 8.55 0.05 . 1 . . . . . . . . . 6880 1
111 . 1 1 31 31 LYS HA H 1 4.25 0.05 . 1 . . . . . . . . . 6880 1
112 . 1 1 31 31 LYS HB2 H 1 1.47 0.05 . 2 . . . . . . . . . 6880 1
113 . 1 1 31 31 LYS HB3 H 1 1.77 0.05 . 2 . . . . . . . . . 6880 1
114 . 1 1 31 31 LYS N N 15 123.12 0.05 . 1 . . . . . . . . . 6880 1
stop_
save_