###################################
# 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 7388
_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 NOESY' . . . 7388 1
2 '2D TOCSY' . . . 7388 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 GLY HA2 H 1 3.947 0.020 . 2 . . . . 2 GLY HA2 . 7388 1
2 . 1 1 2 2 GLY HA3 H 1 3.834 0.020 . 2 . . . . 2 GLY HA3 . 7388 1
3 . 1 1 3 3 ARG H H 1 8.201 0.020 . 1 . . . . 3 ARG H . 7388 1
4 . 1 1 3 3 ARG HA H 1 4.367 0.020 . 1 . . . . 3 ARG HA . 7388 1
5 . 1 1 3 3 ARG HB2 H 1 1.801 0.020 . 2 . . . . 3 ARG HB2 . 7388 1
6 . 1 1 3 3 ARG HB3 H 1 1.591 0.020 . 2 . . . . 3 ARG HB3 . 7388 1
7 . 1 1 3 3 ARG HG2 H 1 1.62 0.020 . 2 . . . . 3 ARG HG2 . 7388 1
8 . 1 1 4 4 VAL H H 1 8.137 0.020 . 1 . . . . 4 VAL H . 7388 1
9 . 1 1 4 4 VAL HA H 1 4.154 0.020 . 1 . . . . 4 VAL HA . 7388 1
10 . 1 1 4 4 VAL HB H 1 2.045 0.020 . 1 . . . . 4 VAL HB . 7388 1
11 . 1 1 4 4 VAL HG21 H 1 0.843 0.020 . 1 . . . . 4 VAL HG21 . 7388 1
12 . 1 1 4 4 VAL HG22 H 1 0.843 0.020 . 1 . . . . 4 VAL HG21 . 7388 1
13 . 1 1 4 4 VAL HG23 H 1 0.843 0.020 . 1 . . . . 4 VAL HG21 . 7388 1
14 . 1 1 5 5 ASP H H 1 8.503 0.020 . 1 . . . . 5 ASP H . 7388 1
15 . 1 1 5 5 ASP HA H 1 4.569 0.020 . 1 . . . . 5 ASP HA . 7388 1
16 . 1 1 5 5 ASP HB3 H 1 2.583 0.020 . 2 . . . . 5 ASP HB3 . 7388 1
17 . 1 1 6 6 ILE H H 1 7.738 0.020 . 1 . . . . 6 ILE H . 7388 1
18 . 1 1 6 6 ILE HA H 1 4.152 0.020 . 1 . . . . 6 ILE HA . 7388 1
19 . 1 1 6 6 ILE HB H 1 1.736 0.020 . 1 . . . . 6 ILE HB . 7388 1
20 . 1 1 6 6 ILE HD11 H 1 0.737 0.020 . 1 . . . . 6 ILE HD11 . 7388 1
21 . 1 1 6 6 ILE HD12 H 1 0.737 0.020 . 1 . . . . 6 ILE HD11 . 7388 1
22 . 1 1 6 6 ILE HD13 H 1 0.737 0.020 . 1 . . . . 6 ILE HD11 . 7388 1
23 . 1 1 6 6 ILE HG12 H 1 1.236 0.020 . 2 . . . . 6 ILE HG12 . 7388 1
24 . 1 1 6 6 ILE HG21 H 1 1.051 0.020 . 1 . . . . 6 ILE HG21 . 7388 1
25 . 1 1 6 6 ILE HG22 H 1 1.051 0.020 . 1 . . . . 6 ILE HG22 . 7388 1
26 . 1 1 6 6 ILE HG23 H 1 1.051 0.020 . 1 . . . . 6 ILE HG22 . 7388 1
27 . 1 1 7 7 HIS H H 1 8.423 0.020 . 1 . . . . 7 HIS H . 7388 1
28 . 1 1 7 7 HIS HA H 1 4.598 0.020 . 1 . . . . 7 HIS HA . 7388 1
29 . 1 1 7 7 HIS HB2 H 1 3.107 0.020 . 2 . . . . 7 HIS HB2 . 7388 1
30 . 1 1 7 7 HIS HB3 H 1 2.990 0.020 . 2 . . . . 7 HIS HB3 . 7388 1
31 . 1 1 8 8 VAL H H 1 7.860 0.020 . 1 . . . . 8 VAL H . 7388 1
32 . 1 1 8 8 VAL HA H 1 4.137 0.020 . 1 . . . . 8 VAL HA . 7388 1
33 . 1 1 8 8 VAL HB H 1 1.899 0.020 . 1 . . . . 8 VAL HB . 7388 1
34 . 1 1 8 8 VAL HG21 H 1 0.721 0.020 . 1 . . . . 8 VAL HG21 . 7388 1
35 . 1 1 8 8 VAL HG22 H 1 0.721 0.020 . 1 . . . . 8 VAL HG21 . 7388 1
36 . 1 1 8 8 VAL HG23 H 1 0.721 0.020 . 1 . . . . 8 VAL HG21 . 7388 1
37 . 1 1 9 9 TRP H H 1 8.174 0.020 . 1 . . . . 9 TRP H . 7388 1
38 . 1 1 9 9 TRP HA H 1 4.558 0.020 . 1 . . . . 9 TRP HA . 7388 1
39 . 1 1 9 9 TRP HB2 H 1 2.899 0.020 . 2 . . . . 9 TRP HB2 . 7388 1
40 . 1 1 9 9 TRP HB3 H 1 2.750 0.020 . 2 . . . . 9 TRP HB3 . 7388 1
41 . 1 1 10 10 ASP H H 1 8.238 0.020 . 1 . . . . 10 ASP H . 7388 1
42 . 1 1 10 10 ASP HA H 1 4.382 0.020 . 1 . . . . 10 ASP HA . 7388 1
43 . 1 1 10 10 ASP HB2 H 1 2.691 0.020 . 2 . . . . 10 ASP HB2 . 7388 1
44 . 1 1 10 10 ASP HB3 H 1 2.463 0.020 . 2 . . . . 10 ASP HB3 . 7388 1
45 . 1 1 11 11 GLY H H 1 7.884 0.020 . 1 . . . . 11 GLY H . 7388 1
46 . 1 1 11 11 GLY HA2 H 1 3.741 0.020 . 2 . . . . 11 GLY HA2 . 7388 1
47 . 1 1 11 11 GLY HA3 H 1 3.574 0.020 . 2 . . . . 11 GLY HA3 . 7388 1
48 . 1 1 12 12 VAL H H 1 7.641 0.020 . 1 . . . . 12 VAL H . 7388 1
49 . 1 1 12 12 VAL HA H 1 4.081 0.020 . 1 . . . . 12 VAL HA . 7388 1
50 . 1 1 12 12 VAL HB H 1 1.976 0.020 . 1 . . . . 12 VAL HB . 7388 1
51 . 1 1 12 12 VAL HG21 H 1 0.770 0.020 . 1 . . . . 12 VAL HG21 . 7388 1
52 . 1 1 12 12 VAL HG22 H 1 0.770 0.020 . 1 . . . . 12 VAL HG21 . 7388 1
53 . 1 1 12 12 VAL HG23 H 1 0.770 0.020 . 1 . . . . 12 VAL HG21 . 7388 1
54 . 1 1 13 13 TYR H H 1 8.227 0.020 . 1 . . . . 13 TYR H . 7388 1
55 . 1 1 13 13 TYR HA H 1 4.572 0.020 . 1 . . . . 13 TYR HA . 7388 1
56 . 1 1 13 13 TYR HB2 H 1 3.203 0.020 . 2 . . . . 13 TYR HB2 . 7388 1
57 . 1 1 13 13 TYR HB3 H 1 3.020 0.020 . 2 . . . . 13 TYR HB3 . 7388 1
58 . 1 1 14 14 ILE H H 1 7.956 0.020 . 1 . . . . 14 ILE H . 7388 1
59 . 1 1 14 14 ILE HA H 1 4.149 0.020 . 1 . . . . 14 ILE HA . 7388 1
60 . 1 1 14 14 ILE HB H 1 1.719 0.020 . 1 . . . . 14 ILE HB . 7388 1
61 . 1 1 14 14 ILE HD11 H 1 0.789 0.020 . 1 . . . . 14 ILE HD11 . 7388 1
62 . 1 1 14 14 ILE HD12 H 1 0.789 0.020 . 1 . . . . 14 ILE HD11 . 7388 1
63 . 1 1 14 14 ILE HD13 H 1 0.789 0.020 . 1 . . . . 14 ILE HD11 . 7388 1
64 . 1 1 14 14 ILE HG12 H 1 1.388 0.020 . 2 . . . . 14 ILE HG12 . 7388 1
65 . 1 1 14 14 ILE HG21 H 1 1.081 0.020 . 1 . . . . 14 ILE HG22 . 7388 1
66 . 1 1 14 14 ILE HG22 H 1 1.081 0.020 . 1 . . . . 14 ILE HG22 . 7388 1
67 . 1 1 14 14 ILE HG23 H 1 1.081 0.020 . 1 . . . . 14 ILE HG22 . 7388 1
68 . 1 1 15 15 ARG H H 1 8.196 0.020 . 1 . . . . 15 ARG H . 7388 1
69 . 1 1 15 15 ARG HA H 1 4.345 0.020 . 1 . . . . 15 ARG HA . 7388 1
70 . 1 1 15 15 ARG HB2 H 1 1.798 0.020 . 2 . . . . 15 ARG HB2 . 7388 1
71 . 1 1 15 15 ARG HB3 H 1 1.612 0.020 . 2 . . . . 15 ARG HB3 . 7388 1
72 . 1 1 15 15 ARG HG2 H 1 1.62 0.020 . 2 . . . . 15 ARG HG2 . 7388 1
73 . 1 1 16 16 GLY H H 1 8.285 0.020 . 1 . . . . 16 GLY H . 7388 1
74 . 1 1 16 16 GLY HA2 H 1 3.794 0.020 . 2 . . . . 16 GLY HA2 . 7388 1
75 . 1 1 16 16 GLY HA3 H 1 3.794 0.020 . 2 . . . . 16 GLY HA3 . 7388 1
76 . 1 1 17 17 ARG H H 1 7.889 0.020 . 1 . . . . 17 ARG H . 7388 1
77 . 1 1 17 17 ARG HA H 1 4.149 0.020 . 1 . . . . 17 ARG HA . 7388 1
78 . 1 1 17 17 ARG HB2 H 1 1.765 0.020 . 2 . . . . 17 ARG HB2 . 7388 1
79 . 1 1 17 17 ARG HB3 H 1 1.627 0.020 . 2 . . . . 17 ARG HB3 . 7388 1
stop_
save_