###################################
# 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 6219
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_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 $sample_1 . 6219 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 2 2 LEU H H 1 8.54 . . . . . . . . . . . 6219 1
2 . 1 1 2 2 LEU HA H 1 4.21 . . . . . . . . . . . 6219 1
3 . 1 1 2 2 LEU HB2 H 1 2.03 . . . . . . . . . . . 6219 1
4 . 1 1 2 2 LEU HG H 1 1.69 . . . . . . . . . . . 6219 1
5 . 1 1 2 2 LEU HD21 H 1 1.16 . . . . . . . . . . . 6219 1
6 . 1 1 2 2 LEU HD22 H 1 1.16 . . . . . . . . . . . 6219 1
7 . 1 1 2 2 LEU HD23 H 1 1.16 . . . . . . . . . . . 6219 1
8 . 1 1 3 3 GLY H H 1 8.55 . . . . . . . . . . . 6219 1
9 . 1 1 3 3 GLY HA2 H 1 4.08 . . . . . . . . . . . 6219 1
10 . 1 1 4 4 LYS H H 1 8.02 . . . . . . . . . . . 6219 1
11 . 1 1 4 4 LYS HA H 1 4.12 . . . . . . . . . . . 6219 1
12 . 1 1 4 4 LYS HB2 H 1 2.16 . . . . . . . . . . . 6219 1
13 . 1 1 4 4 LYS HG2 H 1 1.56 . . . . . . . . . . . 6219 1
14 . 1 1 4 4 LYS HD2 H 1 1.87 . . . . . . . . . . . 6219 1
15 . 1 1 4 4 LYS HE2 H 1 3.02 . . . . . . . . . . . 6219 1
16 . 1 1 4 4 LYS HZ1 H 1 7.72 . . . . . . . . . . . 6219 1
17 . 1 1 4 4 LYS HZ2 H 1 7.72 . . . . . . . . . . . 6219 1
18 . 1 1 4 4 LYS HZ3 H 1 7.72 . . . . . . . . . . . 6219 1
19 . 1 1 5 5 ILE H H 1 7.97 . . . . . . . . . . . 6219 1
20 . 1 1 5 5 ILE HA H 1 3.81 . . . . . . . . . . . 6219 1
21 . 1 1 5 5 ILE HB H 1 2.17 . . . . . . . . . . . 6219 1
22 . 1 1 5 5 ILE HG12 H 1 1.72 . . . . . . . . . . . 6219 1
23 . 1 1 5 5 ILE HG13 H 1 1.25 . . . . . . . . . . . 6219 1
24 . 1 1 5 5 ILE HG21 H 1 0.97 . . . . . . . . . . . 6219 1
25 . 1 1 5 5 ILE HG22 H 1 0.97 . . . . . . . . . . . 6219 1
26 . 1 1 5 5 ILE HG23 H 1 0.97 . . . . . . . . . . . 6219 1
27 . 1 1 5 5 ILE HD11 H 1 0.93 . . . . . . . . . . . 6219 1
28 . 1 1 5 5 ILE HD12 H 1 0.93 . . . . . . . . . . . 6219 1
29 . 1 1 5 5 ILE HD13 H 1 0.93 . . . . . . . . . . . 6219 1
30 . 1 1 6 6 TRP H H 1 8.31 . . . . . . . . . . . 6219 1
31 . 1 1 6 6 TRP HA H 1 4.68 . . . . . . . . . . . 6219 1
32 . 1 1 6 6 TRP HB2 H 1 3.36 . . . . . . . . . . . 6219 1
33 . 1 1 6 6 TRP HD1 H 1 6.93 . . . . . . . . . . . 6219 1
34 . 1 1 6 6 TRP HZ3 H 1 6.93 . . . . . . . . . . . 6219 1
35 . 1 1 6 6 TRP HZ2 H 1 7.46 . . . . . . . . . . . 6219 1
36 . 1 1 6 6 TRP HH2 H 1 7.05 . . . . . . . . . . . 6219 1
37 . 1 1 6 6 TRP HE3 H 1 7.28 . . . . . . . . . . . 6219 1
38 . 1 1 6 6 TRP HE1 H 1 9.82 . . . . . . . . . . . 6219 1
39 . 1 1 7 7 LYS H H 1 8.01 . . . . . . . . . . . 6219 1
40 . 1 1 7 7 LYS HA H 1 3.69 . . . . . . . . . . . 6219 1
41 . 1 1 7 7 LYS HB2 H 1 1.97 . . . . . . . . . . . 6219 1
42 . 1 1 7 7 LYS HG2 H 1 1.42 . . . . . . . . . . . 6219 1
43 . 1 1 7 7 LYS HD2 H 1 1.68 . . . . . . . . . . . 6219 1
44 . 1 1 7 7 LYS HE2 H 1 3.02 . . . . . . . . . . . 6219 1
45 . 1 1 7 7 LYS HZ1 H 1 7.71 . . . . . . . . . . . 6219 1
46 . 1 1 7 7 LYS HZ2 H 1 7.71 . . . . . . . . . . . 6219 1
47 . 1 1 7 7 LYS HZ3 H 1 7.71 . . . . . . . . . . . 6219 1
48 . 1 1 8 8 GLY H H 1 8.02 . . . . . . . . . . . 6219 1
49 . 1 1 8 8 GLY HA2 H 1 3.83 . . . . . . . . . . . 6219 1
50 . 1 1 9 9 ILE H H 1 8.50 . . . . . . . . . . . 6219 1
51 . 1 1 9 9 ILE HA H 1 3.69 . . . . . . . . . . . 6219 1
52 . 1 1 9 9 ILE HB H 1 2.02 . . . . . . . . . . . 6219 1
53 . 1 1 9 9 ILE HG12 H 1 1.66 . . . . . . . . . . . 6219 1
54 . 1 1 9 9 ILE HG13 H 1 1.37 . . . . . . . . . . . 6219 1
55 . 1 1 9 9 ILE HG21 H 1 1.16 . . . . . . . . . . . 6219 1
56 . 1 1 9 9 ILE HG22 H 1 1.16 . . . . . . . . . . . 6219 1
57 . 1 1 9 9 ILE HG23 H 1 1.16 . . . . . . . . . . . 6219 1
58 . 1 1 9 9 ILE HD11 H 1 0.97 . . . . . . . . . . . 6219 1
59 . 1 1 9 9 ILE HD12 H 1 0.97 . . . . . . . . . . . 6219 1
60 . 1 1 9 9 ILE HD13 H 1 0.97 . . . . . . . . . . . 6219 1
61 . 1 1 10 10 LYS H H 1 8.15 . . . . . . . . . . . 6219 1
62 . 1 1 10 10 LYS HA H 1 3.68 . . . . . . . . . . . 6219 1
63 . 1 1 10 10 LYS HB2 H 1 2.02 . . . . . . . . . . . 6219 1
64 . 1 1 10 10 LYS HG2 H 1 1.48 . . . . . . . . . . . 6219 1
65 . 1 1 10 10 LYS HD2 H 1 1.38 . . . . . . . . . . . 6219 1
66 . 1 1 10 10 LYS HE2 H 1 2.99 . . . . . . . . . . . 6219 1
67 . 1 1 10 10 LYS HZ1 H 1 7.87 . . . . . . . . . . . 6219 1
68 . 1 1 10 10 LYS HZ2 H 1 7.87 . . . . . . . . . . . 6219 1
69 . 1 1 10 10 LYS HZ3 H 1 7.87 . . . . . . . . . . . 6219 1
70 . 1 1 11 11 SER H H 1 7.72 . . . . . . . . . . . 6219 1
71 . 1 1 11 11 SER HA H 1 4.18 . . . . . . . . . . . 6219 1
72 . 1 1 11 11 SER HB2 H 1 3.98 . . . . . . . . . . . 6219 1
73 . 1 1 12 12 LEU H H 1 7.71 . . . . . . . . . . . 6219 1
74 . 1 1 12 12 LEU HA H 1 4.05 . . . . . . . . . . . 6219 1
75 . 1 1 12 12 LEU HB2 H 1 1.57 . . . . . . . . . . . 6219 1
76 . 1 1 12 12 LEU HG H 1 1.09 . . . . . . . . . . . 6219 1
77 . 1 1 12 12 LEU HD11 H 1 0.79 . . . . . . . . . . . 6219 1
78 . 1 1 12 12 LEU HD12 H 1 0.79 . . . . . . . . . . . 6219 1
79 . 1 1 12 12 LEU HD13 H 1 0.79 . . . . . . . . . . . 6219 1
80 . 1 1 12 12 LEU HD21 H 1 0.71 . . . . . . . . . . . 6219 1
81 . 1 1 12 12 LEU HD22 H 1 0.71 . . . . . . . . . . . 6219 1
82 . 1 1 12 12 LEU HD23 H 1 0.71 . . . . . . . . . . . 6219 1
83 . 1 1 13 13 NFA H H 1 7.70 . . . . . . . . . . . 6219 1
84 . 1 1 13 13 NFA HA H 1 4.52 . . . . . . . . . . . 6219 1
85 . 1 1 13 13 NFA HB2 H 1 3.29 . . . . . . . . . . . 6219 1
86 . 1 1 13 13 NFA HB3 H 1 2.82 . . . . . . . . . . . 6219 1
87 . 1 1 13 13 NFA HD1 H 1 6.97 . . . . . . . . . . . 6219 1
88 . 1 1 13 13 NFA HE1 H 1 7.36 . . . . . . . . . . . 6219 1
89 . 1 1 13 13 NFA HZ H 1 7.26 . . . . . . . . . . . 6219 1
stop_
save_