###################################
# 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 20059
_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 trNOESY' . . . 20059 1
2 '2D 1H-1H TOCSY' . . . 20059 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 $DYANA . . 20059 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 TYR HA H 1 4.26 0.020 . 1 . . . . 1 TYR HA . 20059 1
2 . 1 1 1 1 TYR HB2 H 1 3.08 0.020 . 2 . . . . 1 TYR HB2 . 20059 1
3 . 1 1 1 1 TYR HB3 H 1 3.08 0.020 . 2 . . . . 1 TYR HB3 . 20059 1
4 . 1 1 1 1 TYR HD2 H 1 7.07 0.020 . 1 . . . . 1 TYR HD2 . 20059 1
5 . 1 1 1 1 TYR HE2 H 1 6.84 0.020 . 1 . . . . 1 TYR HE2 . 20059 1
6 . 1 1 2 2 VAL H H 1 8.38 0.020 . 1 . . . . 2 VAL H . 20059 1
7 . 1 1 2 2 VAL HA H 1 4.07 0.020 . 1 . . . . 2 VAL HA . 20059 1
8 . 1 1 2 2 VAL HB H 1 1.83 0.020 . 1 . . . . 2 VAL HB . 20059 1
9 . 1 1 2 2 VAL HG11 H 1 0.71 0.020 . 2 . . . . 2 VAL HG1 . 20059 1
10 . 1 1 2 2 VAL HG12 H 1 0.71 0.020 . 2 . . . . 2 VAL HG1 . 20059 1
11 . 1 1 2 2 VAL HG13 H 1 0.71 0.020 . 2 . . . . 2 VAL HG1 . 20059 1
12 . 1 1 2 2 VAL HG21 H 1 0.81 0.020 . 2 . . . . 2 VAL HG2 . 20059 1
13 . 1 1 2 2 VAL HG22 H 1 0.81 0.020 . 2 . . . . 2 VAL HG2 . 20059 1
14 . 1 1 2 2 VAL HG23 H 1 0.81 0.020 . 2 . . . . 2 VAL HG2 . 20059 1
15 . 1 1 3 3 LEU H H 1 8.33 0.020 . 1 . . . . 3 LEU H . 20059 1
16 . 1 1 3 3 LEU HA H 1 4.34 0.020 . 1 . . . . 3 LEU HA . 20059 1
17 . 1 1 3 3 LEU HB3 H 1 1.54 0.020 . 2 . . . . 3 LEU HB3 . 20059 1
18 . 1 1 3 3 LEU HD11 H 1 0.91 0.020 . 2 . . . . 3 LEU HD1 . 20059 1
19 . 1 1 3 3 LEU HD12 H 1 0.91 0.020 . 2 . . . . 3 LEU HD1 . 20059 1
20 . 1 1 3 3 LEU HD13 H 1 0.91 0.020 . 2 . . . . 3 LEU HD1 . 20059 1
21 . 1 1 3 3 LEU HD21 H 1 0.84 0.020 . 2 . . . . 3 LEU HD2 . 20059 1
22 . 1 1 3 3 LEU HD22 H 1 0.84 0.020 . 2 . . . . 3 LEU HD2 . 20059 1
23 . 1 1 3 3 LEU HD23 H 1 0.84 0.020 . 2 . . . . 3 LEU HD2 . 20059 1
24 . 1 1 4 4 TRP H H 1 8.15 0.020 . 1 . . . . 4 TRP H . 20059 1
25 . 1 1 4 4 TRP HA H 1 4.65 0.020 . 1 . . . . 4 TRP HA . 20059 1
26 . 1 1 4 4 TRP HB2 H 1 3.21 0.020 . 2 . . . . 4 TRP HB2 . 20059 1
27 . 1 1 4 4 TRP HB3 H 1 3.24 0.020 . 2 . . . . 4 TRP HB3 . 20059 1
28 . 1 1 4 4 TRP HE1 H 1 10.14 0.020 . 1 . . . . 4 TRP HE1 . 20059 1
29 . 1 1 4 4 TRP HE3 H 1 7.55 0.020 . 1 . . . . 4 TRP HE3 . 20059 1
30 . 1 1 4 4 TRP HH2 H 1 7.24 0.020 . 1 . . . . 4 TRP HH2 . 20059 1
31 . 1 1 4 4 TRP HZ2 H 1 7.47 0.020 . 1 . . . . 4 TRP HZ2 . 20059 1
32 . 1 1 5 5 LYS H H 1 8.09 0.020 . 1 . . . . 5 LYS H . 20059 1
33 . 1 1 5 5 LYS HA H 1 4.19 0.020 . 1 . . . . 5 LYS HA . 20059 1
34 . 1 1 5 5 LYS HB2 H 1 1.71 0.020 . 2 . . . . 5 LYS HB2 . 20059 1
35 . 1 1 5 5 LYS HB3 H 1 1.68 0.020 . 2 . . . . 5 LYS HB3 . 20059 1
36 . 1 1 5 5 LYS HD3 H 1 1.58 0.020 . 2 . . . . 5 LYS HD3 . 20059 1
37 . 1 1 5 5 LYS HE3 H 1 2.98 0.020 . 2 . . . . 5 LYS HE3 . 20059 1
38 . 1 1 5 5 LYS HG2 H 1 1.22 0.020 . 2 . . . . 5 LYS HG2 . 20059 1
39 . 1 1 6 6 ARG H H 1 8.10 0.020 . 1 . . . . 6 ARG H . 20059 1
40 . 1 1 6 6 ARG HA H 1 4.15 0.020 . 1 . . . . 6 ARG HA . 20059 1
41 . 1 1 6 6 ARG HB2 H 1 1.79 0.020 . 2 . . . . 6 ARG HB2 . 20059 1
42 . 1 1 6 6 ARG HB3 H 1 1.79 0.020 . 2 . . . . 6 ARG HB3 . 20059 1
43 . 1 1 6 6 ARG HD2 H 1 3.15 0.020 . 2 . . . . 6 ARG HD2 . 20059 1
44 . 1 1 6 6 ARG HE H 1 7.19 0.020 . 1 . . . . 6 ARG HE . 20059 1
45 . 1 1 6 6 ARG HG2 H 1 1.70 0.020 . 2 . . . . 6 ARG HG2 . 20059 1
46 . 1 1 7 7 LYS H H 1 8.31 0.020 . 1 . . . . 7 LYS H . 20059 1
47 . 1 1 7 7 LYS HA H 1 4.19 0.020 . 1 . . . . 7 LYS HA . 20059 1
48 . 1 1 7 7 LYS HB2 H 1 1.69 0.020 . 2 . . . . 7 LYS HB2 . 20059 1
49 . 1 1 7 7 LYS HD3 H 1 1.66 0.020 . 2 . . . . 7 LYS HD3 . 20059 1
50 . 1 1 7 7 LYS HE3 H 1 2.96 0.020 . 2 . . . . 7 LYS HE3 . 20059 1
51 . 1 1 7 7 LYS HG2 H 1 1.33 0.020 . 2 . . . . 7 LYS HG2 . 20059 1
52 . 1 1 8 8 ARG H H 1 8.24 0.020 . 1 . . . . 8 ARG H . 20059 1
53 . 1 1 8 8 ARG HA H 1 4.26 0.020 . 1 . . . . 8 ARG HA . 20059 1
54 . 1 1 8 8 ARG HB2 H 1 1.69 0.020 . 2 . . . . 8 ARG HB2 . 20059 1
55 . 1 1 8 8 ARG HB3 H 1 1.72 0.020 . 2 . . . . 8 ARG HB3 . 20059 1
56 . 1 1 8 8 ARG HD2 H 1 3.14 0.020 . 2 . . . . 8 ARG HD2 . 20059 1
57 . 1 1 8 8 ARG HE H 1 7.16 0.020 . 1 . . . . 8 ARG HE . 20059 1
58 . 1 1 8 8 ARG HG2 H 1 1.52 0.020 . 2 . . . . 8 ARG HG2 . 20059 1
59 . 1 1 9 9 TYR H H 1 8.32 0.020 . 1 . . . . 9 TYR H . 20059 1
60 . 1 1 9 9 TYR HA H 1 4.56 0.020 . 1 . . . . 9 TYR HA . 20059 1
61 . 1 1 9 9 TYR HB3 H 1 2.90 0.020 . 2 . . . . 9 TYR HB3 . 20059 1
62 . 1 1 9 9 TYR HD2 H 1 7.06 0.020 . 1 . . . . 9 TYR HD2 . 20059 1
63 . 1 1 9 9 TYR HE2 H 1 6.84 0.020 . 1 . . . . 9 TYR HE2 . 20059 1
64 . 1 1 10 10 ILE H H 1 7.90 0.020 . 1 . . . . 10 ILE H . 20059 1
65 . 1 1 10 10 ILE HA H 1 4.09 0.020 . 1 . . . . 10 ILE HA . 20059 1
66 . 1 1 10 10 ILE HB H 1 1.69 0.020 . 1 . . . . 10 ILE HB . 20059 1
67 . 1 1 10 10 ILE HD11 H 1 0.79 0.020 . 1 . . . . 10 ILE HD1 . 20059 1
68 . 1 1 10 10 ILE HD12 H 1 0.79 0.020 . 1 . . . . 10 ILE HD1 . 20059 1
69 . 1 1 10 10 ILE HD13 H 1 0.79 0.020 . 1 . . . . 10 ILE HD1 . 20059 1
70 . 1 1 10 10 ILE HG12 H 1 1.34 0.020 . 2 . . . . 10 ILE HG12 . 20059 1
71 . 1 1 10 10 ILE HG13 H 1 1.05 0.020 . 2 . . . . 10 ILE HG13 . 20059 1
72 . 1 1 11 11 PHE H H 1 8.33 0.020 . 1 . . . . 11 PHE H . 20059 1
73 . 1 1 11 11 PHE HA H 1 4.58 0.020 . 1 . . . . 11 PHE HA . 20059 1
74 . 1 1 11 11 PHE HB3 H 1 3.03 0.020 . 2 . . . . 11 PHE HB3 . 20059 1
75 . 1 1 11 11 PHE HD1 H 1 7.26 0.020 . 1 . . . . 11 PHE HD1 . 20059 1
76 . 1 1 11 11 PHE HE1 H 1 7.35 0.020 . 1 . . . . 11 PHE HE1 . 20059 1
77 . 1 1 12 12 ILE H H 1 7.98 0.020 . 1 . . . . 12 ILE H . 20059 1
78 . 1 1 12 12 ILE HA H 1 4.04 0.020 . 1 . . . . 12 ILE HA . 20059 1
79 . 1 1 12 12 ILE HB H 1 1.71 0.020 . 1 . . . . 12 ILE HB . 20059 1
80 . 1 1 12 12 ILE HD11 H 1 0.85 0.020 . 1 . . . . 12 ILE HD1 . 20059 1
81 . 1 1 12 12 ILE HD12 H 1 0.85 0.020 . 1 . . . . 12 ILE HD1 . 20059 1
82 . 1 1 12 12 ILE HD13 H 1 0.85 0.020 . 1 . . . . 12 ILE HD1 . 20059 1
83 . 1 1 12 12 ILE HG12 H 1 1.38 0.020 . 2 . . . . 12 ILE HG12 . 20059 1
84 . 1 1 12 12 ILE HG13 H 1 1.10 0.020 . 2 . . . . 12 ILE HG13 . 20059 1
stop_
save_