###################################
# 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 20118
_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 DQF-COSY' . . . 20118 1
2 '2D 1H-1H TOCSY' . . . 20118 1
3 '2D 1H-1H NOESY' . . . 20118 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $Felix . . 20118 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 LYS HA H 1 3.86 0.03 . 1 . . . . 1 LYS HA . 20118 1
2 . 1 1 1 1 LYS HB2 H 1 1.57 0.03 . 2 . . . . 1 LYS HB2 . 20118 1
3 . 1 1 1 1 LYS HD2 H 1 1.78 0.03 . 2 . . . . 1 LYS HD2 . 20118 1
4 . 1 1 1 1 LYS HE2 H 1 2.87 0.03 . 2 . . . . 1 LYS HE2 . 20118 1
5 . 1 1 1 1 LYS HG2 H 1 1.36 0.03 . 2 . . . . 1 LYS HG2 . 20118 1
6 . 1 1 1 1 LYS HZ1 H 1 7.42 0.03 . 1 . . . . 1 LYS QZ . 20118 1
7 . 1 1 1 1 LYS HZ2 H 1 7.42 0.03 . 1 . . . . 1 LYS QZ . 20118 1
8 . 1 1 1 1 LYS HZ3 H 1 7.42 0.03 . 1 . . . . 1 LYS QZ . 20118 1
9 . 1 1 2 2 ASP H H 1 8.79 0.03 . 1 . . . . 2 ASP H . 20118 1
10 . 1 1 2 2 ASP HA H 1 4.68 0.03 . 1 . . . . 2 ASP HA . 20118 1
11 . 1 1 2 2 ASP HB2 H 1 2.59 0.03 . 2 . . . . 2 ASP HB2 . 20118 1
12 . 1 1 2 2 ASP HB3 H 1 2.73 0.03 . 2 . . . . 2 ASP HB3 . 20118 1
13 . 1 1 3 3 THR H H 1 8.25 0.03 . 1 . . . . 3 THR H . 20118 1
14 . 1 1 3 3 THR HA H 1 4.11 0.03 . 1 . . . . 3 THR HA . 20118 1
15 . 1 1 3 3 THR HB H 1 4.04 0.03 . 1 . . . . 3 THR HB . 20118 1
16 . 1 1 3 3 THR HG21 H 1 1.22 0.03 . 1 . . . . 3 THR HG1 . 20118 1
17 . 1 1 3 3 THR HG22 H 1 1.22 0.03 . 1 . . . . 3 THR HG1 . 20118 1
18 . 1 1 3 3 THR HG23 H 1 1.22 0.03 . 1 . . . . 3 THR HG1 . 20118 1
19 . 1 1 4 4 ILE H H 1 8.17 0.03 . 1 . . . . 4 ILE H . 20118 1
20 . 1 1 4 4 ILE HA H 1 3.99 0.03 . 1 . . . . 4 ILE HA . 20118 1
21 . 1 1 4 4 ILE HB H 1 1.71 0.03 . 1 . . . . 4 ILE HB . 20118 1
22 . 1 1 4 4 ILE HG12 H 1 1.05 0.03 . 2 . . . . 4 ILE HG12 . 20118 1
23 . 1 1 4 4 ILE HG13 H 1 1.30 0.03 . 2 . . . . 4 ILE HG13 . 20118 1
24 . 1 1 4 4 ILE HG21 H 1 0.77 0.03 . 1 . . . . 4 ILE MG . 20118 1
25 . 1 1 4 4 ILE HG22 H 1 0.77 0.03 . 1 . . . . 4 ILE MG . 20118 1
26 . 1 1 4 4 ILE HG23 H 1 0.77 0.03 . 1 . . . . 4 ILE MG . 20118 1
27 . 1 1 5 5 LEU H H 1 8.21 0.03 . 1 . . . . 5 LEU H . 20118 1
28 . 1 1 5 5 LEU HA H 1 4.21 0.03 . 1 . . . . 5 LEU HA . 20118 1
29 . 1 1 5 5 LEU HB2 H 1 1.50 0.03 . 2 . . . . 5 LEU HB2 . 20118 1
30 . 1 1 5 5 LEU HD11 H 1 0.77 0.03 . 2 . . . . 5 LEU MD1 . 20118 1
31 . 1 1 5 5 LEU HD12 H 1 0.77 0.03 . 2 . . . . 5 LEU MD1 . 20118 1
32 . 1 1 5 5 LEU HD13 H 1 0.77 0.03 . 2 . . . . 5 LEU MD1 . 20118 1
33 . 1 1 6 6 GLN H H 1 8.24 0.03 . 1 . . . . 6 GLN H . 20118 1
34 . 1 1 6 6 GLN HA H 1 4.07 0.03 . 1 . . . . 6 GLN HA . 20118 1
35 . 1 1 6 6 GLN HB2 H 1 1.85 0.03 . 2 . . . . 6 GLN HB2 . 20118 1
36 . 1 1 6 6 GLN HB3 H 1 1.96 0.03 . 2 . . . . 6 GLN HB3 . 20118 1
37 . 1 1 6 6 GLN HG2 H 1 2.20 0.03 . 2 . . . . 6 GLN HG2 . 20118 1
38 . 1 1 7 7 LEU H H 1 8.25 0.03 . 1 . . . . 7 LEU H . 20118 1
39 . 1 1 7 7 LEU HA H 1 4.09 0.03 . 1 . . . . 7 LEU HA . 20118 1
40 . 1 1 7 7 LEU HB2 H 1 1.47 0.03 . 2 . . . . 7 LEU HB2 . 20118 1
41 . 1 1 8 8 ASN H H 1 8.42 0.03 . 1 . . . . 8 ASN H . 20118 1
42 . 1 1 8 8 ASN HA H 1 4.35 0.03 . 1 . . . . 8 ASN HA . 20118 1
43 . 1 1 8 8 ASN HB2 H 1 2.55 0.03 . 2 . . . . 8 ASN HB2 . 20118 1
44 . 1 1 8 8 ASN HB3 H 1 2.69 0.03 . 2 . . . . 8 ASN HB3 . 20118 1
45 . 1 1 9 9 LEU H H 1 8.04 0.03 . 1 . . . . 9 LEU H . 20118 1
46 . 1 1 9 9 LEU HA H 1 4.16 0.03 . 1 . . . . 9 LEU HA . 20118 1
47 . 1 1 9 9 LEU HB2 H 1 1.45 0.03 . 2 . . . . 9 LEU HB2 . 20118 1
48 . 1 1 9 9 LEU HB3 H 1 1.47 0.03 . 2 . . . . 9 LEU HB3 . 20118 1
49 . 1 1 9 9 LEU HD11 H 1 0.72 0.03 . 2 . . . . 9 LEU MD1 . 20118 1
50 . 1 1 9 9 LEU HD12 H 1 0.72 0.03 . 2 . . . . 9 LEU MD1 . 20118 1
51 . 1 1 9 9 LEU HD13 H 1 0.72 0.03 . 2 . . . . 9 LEU MD1 . 20118 1
52 . 1 1 9 9 LEU HD21 H 1 0.79 0.03 . 2 . . . . 9 LEU MD2 . 20118 1
53 . 1 1 9 9 LEU HD22 H 1 0.79 0.03 . 2 . . . . 9 LEU MD2 . 20118 1
54 . 1 1 9 9 LEU HD23 H 1 0.79 0.03 . 2 . . . . 9 LEU MD2 . 20118 1
55 . 1 1 10 10 LYS H H 1 8.14 0.03 . 1 . . . . 10 LYS H . 20118 1
56 . 1 1 10 10 LYS HA H 1 4.02 0.03 . 1 . . . . 10 LYS HA . 20118 1
57 . 1 1 10 10 LYS HB2 H 1 1.61 0.03 . 2 . . . . 10 LYS HB2 . 20118 1
58 . 1 1 10 10 LYS HD2 H 1 1.66 0.03 . 2 . . . . 10 LYS HD2 . 20118 1
59 . 1 1 10 10 LYS HE2 H 1 2.84 0.03 . 2 . . . . 10 LYS HE2 . 20118 1
60 . 1 1 10 10 LYS HG2 H 1 1.26 0.03 . 2 . . . . 10 LYS HG2 . 20118 1
61 . 1 1 10 10 LYS HZ1 H 1 7.34 0.03 . 1 . . . . 10 LYS QZ . 20118 1
62 . 1 1 10 10 LYS HZ2 H 1 7.34 0.03 . 1 . . . . 10 LYS QZ . 20118 1
63 . 1 1 10 10 LYS HZ3 H 1 7.34 0.03 . 1 . . . . 10 LYS QZ . 20118 1
64 . 1 1 11 11 GLU H H 1 8.13 0.03 . 1 . . . . 11 GLU H . 20118 1
65 . 1 1 11 11 GLU HA H 1 4.14 0.03 . 1 . . . . 11 GLU HA . 20118 1
66 . 1 1 11 11 GLU HB2 H 1 1.82 0.03 . 2 . . . . 11 GLU HB2 . 20118 1
67 . 1 1 11 11 GLU HB3 H 1 1.73 0.03 . 2 . . . . 11 GLU HB3 . 20118 1
68 . 1 1 11 11 GLU HG2 H 1 2.10 0.03 . 2 . . . . 11 GLU HG2 . 20118 1
69 . 1 1 12 12 TYR H H 1 8.04 0.03 . 1 . . . . 12 TYR H . 20118 1
70 . 1 1 12 12 TYR HA H 1 4.39 0.03 . 1 . . . . 12 TYR HA . 20118 1
71 . 1 1 12 12 TYR HB2 H 1 2.78 0.03 . 2 . . . . 12 TYR HB2 . 20118 1
72 . 1 1 12 12 TYR HB3 H 1 2.92 0.03 . 2 . . . . 12 TYR HB3 . 20118 1
73 . 1 1 13 13 ASN H H 1 8.22 0.03 . 1 . . . . 13 ASN H . 20118 1
74 . 1 1 13 13 ASN HA H 1 4.51 0.03 . 1 . . . . 13 ASN HA . 20118 1
75 . 1 1 13 13 ASN HB2 H 1 2.52 0.03 . 2 . . . . 13 ASN HB2 . 20118 1
76 . 1 1 13 13 ASN HB3 H 1 2.62 0.03 . 2 . . . . 13 ASN HB3 . 20118 1
77 . 1 1 14 14 LEU H H 1 8.01 0.03 . 1 . . . . 14 LEU H . 20118 1
78 . 1 1 14 14 LEU HA H 1 4.18 0.03 . 1 . . . . 14 LEU HA . 20118 1
79 . 1 1 14 14 LEU HB2 H 1 1.47 0.03 . 2 . . . . 14 LEU HB2 . 20118 1
80 . 1 1 15 15 VAL H H 1 7.93 0.03 . 1 . . . . 15 VAL H . 20118 1
81 . 1 1 15 15 VAL HA H 1 3.93 0.03 . 1 . . . . 15 VAL HA . 20118 1
82 . 1 1 15 15 VAL HB H 1 1.92 0.03 . 1 . . . . 15 VAL HB . 20118 1
83 . 1 1 15 15 VAL HG11 H 1 0.79 0.03 . 2 . . . . 15 VAL MG1 . 20118 1
84 . 1 1 15 15 VAL HG12 H 1 0.79 0.03 . 2 . . . . 15 VAL MG1 . 20118 1
85 . 1 1 15 15 VAL HG13 H 1 0.79 0.03 . 2 . . . . 15 VAL MG1 . 20118 1
86 . 1 1 15 15 VAL HG21 H 1 0.82 0.03 . 2 . . . . 15 VAL MG2 . 20118 1
87 . 1 1 15 15 VAL HG22 H 1 0.82 0.03 . 2 . . . . 15 VAL MG2 . 20118 1
88 . 1 1 15 15 VAL HG23 H 1 0.82 0.03 . 2 . . . . 15 VAL MG2 . 20118 1
stop_
save_