###################################
# 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 18736
_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 TOCSY' . . . 18736 1
2 '2D 1H-1H NOESY' . . . 18736 1
3 '2D DQF-COSY' . . . 18736 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 GLY HA2 H 1 3.895 0.000 . 1 . . . A 1 GLY HA2 . 18736 1
2 . 1 1 1 1 GLY HA3 H 1 3.895 0.000 . 1 . . . A 1 GLY HA3 . 18736 1
3 . 1 1 2 2 CYS H H 1 8.939 0.000 . 1 . . . A 2 CYS H . 18736 1
4 . 1 1 2 2 CYS HA H 1 4.514 0.000 . 1 . . . A 2 CYS HA . 18736 1
5 . 1 1 2 2 CYS HB2 H 1 3.241 0.000 . 1 . . . A 2 CYS HB2 . 18736 1
6 . 1 1 2 2 CYS HB3 H 1 2.645 0.000 . 1 . . . A 2 CYS HB3 . 18736 1
7 . 1 1 3 3 CYS H H 1 8.753 0.001 . 1 . . . A 3 CYS H . 18736 1
8 . 1 1 3 3 CYS HA H 1 4.468 0.000 . 1 . . . A 3 CYS HA . 18736 1
9 . 1 1 3 3 CYS HB2 H 1 2.791 0.000 . 1 . . . A 3 CYS HB2 . 18736 1
10 . 1 1 3 3 CYS HB3 H 1 3.332 0.000 . 1 . . . A 3 CYS HB3 . 18736 1
11 . 1 1 4 4 SER H H 1 7.910 0.000 . 1 . . . A 4 SER H . 18736 1
12 . 1 1 4 4 SER HA H 1 4.622 0.000 . 1 . . . A 4 SER HA . 18736 1
13 . 1 1 4 4 SER HB2 H 1 4.041 0.000 . 1 . . . A 4 SER HB2 . 18736 1
14 . 1 1 4 4 SER HB3 H 1 3.961 0.000 . 1 . . . A 4 SER HB3 . 18736 1
15 . 1 1 5 5 ASP H H 1 7.980 0.001 . 1 . . . A 5 ASP H . 18736 1
16 . 1 1 5 5 ASP HA H 1 5.356 0.001 . 1 . . . A 5 ASP HA . 18736 1
17 . 1 1 5 5 ASP HB2 H 1 2.769 0.000 . 1 . . . A 5 ASP HB2 . 18736 1
18 . 1 1 5 5 ASP HB3 H 1 3.159 0.000 . 1 . . . A 5 ASP HB3 . 18736 1
19 . 1 1 6 6 PRO HA H 1 4.224 0.000 . 1 . . . A 6 PRO HA . 18736 1
20 . 1 1 6 6 PRO HB2 H 1 2.167 0.002 . 1 . . . A 6 PRO HB2 . 18736 1
21 . 1 1 6 6 PRO HB3 H 1 2.321 0.000 . 1 . . . A 6 PRO HB3 . 18736 1
22 . 1 1 6 6 PRO HG2 H 1 2.299 0.001 . 1 . . . A 6 PRO HG2 . 18736 1
23 . 1 1 6 6 PRO HG3 H 1 2.047 0.001 . 1 . . . A 6 PRO HG3 . 18736 1
24 . 1 1 6 6 PRO HD2 H 1 4.337 0.000 . 1 . . . A 6 PRO HD2 . 18736 1
25 . 1 1 6 6 PRO HD3 H 1 3.855 0.000 . 1 . . . A 6 PRO HD3 . 18736 1
26 . 1 1 7 7 PRO HA H 1 4.384 0.000 . 1 . . . A 7 PRO HA . 18736 1
27 . 1 1 7 7 PRO HB2 H 1 1.863 0.000 . 1 . . . A 7 PRO HB2 . 18736 1
28 . 1 1 7 7 PRO HB3 H 1 2.282 0.001 . 1 . . . A 7 PRO HB3 . 18736 1
29 . 1 1 7 7 PRO HG2 H 1 1.993 0.000 . 1 . . . A 7 PRO HG2 . 18736 1
30 . 1 1 7 7 PRO HG3 H 1 2.056 0.000 . 1 . . . A 7 PRO HG3 . 18736 1
31 . 1 1 7 7 PRO HD2 H 1 3.630 0.000 . 1 . . . A 7 PRO HD2 . 18736 1
32 . 1 1 7 7 PRO HD3 H 1 3.630 0.000 . 1 . . . A 7 PRO HD3 . 18736 1
33 . 1 1 8 8 CYS H H 1 7.639 0.001 . 1 . . . A 8 CYS H . 18736 1
34 . 1 1 8 8 CYS HA H 1 4.304 0.000 . 1 . . . A 8 CYS HA . 18736 1
35 . 1 1 8 8 CYS HB2 H 1 3.345 0.000 . 1 . . . A 8 CYS HB2 . 18736 1
36 . 1 1 8 8 CYS HB3 H 1 3.345 0.000 . 1 . . . A 8 CYS HB3 . 18736 1
37 . 1 1 9 9 ARG H H 1 8.752 0.001 . 1 . . . A 9 ARG H . 18736 1
38 . 1 1 9 9 ARG HA H 1 4.004 0.001 . 1 . . . A 9 ARG HA . 18736 1
39 . 1 1 9 9 ARG HB2 H 1 2.026 0.000 . 1 . . . A 9 ARG HB2 . 18736 1
40 . 1 1 9 9 ARG HB3 H 1 1.913 0.000 . 1 . . . A 9 ARG HB3 . 18736 1
41 . 1 1 9 9 ARG HG2 H 1 1.532 0.000 . 1 . . . A 9 ARG HG2 . 18736 1
42 . 1 1 9 9 ARG HG3 H 1 1.726 0.000 . 1 . . . A 9 ARG HG3 . 18736 1
43 . 1 1 9 9 ARG HD2 H 1 3.297 0.000 . 1 . . . A 9 ARG HD2 . 18736 1
44 . 1 1 9 9 ARG HD3 H 1 3.297 0.000 . 1 . . . A 9 ARG HD3 . 18736 1
45 . 1 1 9 9 ARG HE H 1 7.251 0.000 . 1 . . . A 9 ARG HE . 18736 1
46 . 1 1 9 9 ARG HH11 H 1 7.067 0.000 . 1 . . . A 9 ARG HH11 . 18736 1
47 . 1 1 9 9 ARG HH21 H 1 6.633 0.000 . 1 . . . A 9 ARG HH21 . 18736 1
48 . 1 1 9 9 ARG HH22 H 1 6.633 0.000 . 1 . . . A 9 ARG HH22 . 18736 1
49 . 1 1 10 10 ASN H H 1 8.516 0.000 . 1 . . . A 10 ASN H . 18736 1
50 . 1 1 10 10 ASN HA H 1 4.392 0.001 . 1 . . . A 10 ASN HA . 18736 1
51 . 1 1 10 10 ASN HB2 H 1 2.806 0.000 . 1 . . . A 10 ASN HB2 . 18736 1
52 . 1 1 10 10 ASN HB3 H 1 2.806 0.000 . 1 . . . A 10 ASN HB3 . 18736 1
53 . 1 1 10 10 ASN HD21 H 1 7.034 0.000 . 1 . . . A 10 ASN HD21 . 18736 1
54 . 1 1 10 10 ASN HD22 H 1 7.617 0.000 . 1 . . . A 10 ASN HD22 . 18736 1
55 . 1 1 11 11 LYS H H 1 7.321 0.001 . 1 . . . A 11 LYS H . 18736 1
56 . 1 1 11 11 LYS HA H 1 4.246 0.000 . 1 . . . A 11 LYS HA . 18736 1
57 . 1 1 11 11 LYS HB2 H 1 1.813 0.000 . 1 . . . A 11 LYS HB2 . 18736 1
58 . 1 1 11 11 LYS HB3 H 1 1.680 0.000 . 1 . . . A 11 LYS HB3 . 18736 1
59 . 1 1 11 11 LYS HG2 H 1 1.371 0.001 . 1 . . . A 11 LYS HG2 . 18736 1
60 . 1 1 11 11 LYS HG3 H 1 1.518 0.000 . 1 . . . A 11 LYS HG3 . 18736 1
61 . 1 1 12 12 HIS H H 1 7.663 0.001 . 1 . . . A 12 HIS H . 18736 1
62 . 1 1 12 12 HIS HA H 1 5.189 0.000 . 1 . . . A 12 HIS HA . 18736 1
63 . 1 1 12 12 HIS HB2 H 1 3.341 0.000 . 1 . . . A 12 HIS HB2 . 18736 1
64 . 1 1 12 12 HIS HB3 H 1 3.059 0.001 . 1 . . . A 12 HIS HB3 . 18736 1
65 . 1 1 12 12 HIS HD2 H 1 7.671 0.000 . 1 . . . A 12 HIS HD2 . 18736 1
66 . 1 1 12 12 HIS HE1 H 1 8.781 0.000 . 1 . . . A 12 HIS HE1 . 18736 1
67 . 1 1 13 13 PRO HA H 1 4.451 0.000 . 1 . . . A 13 PRO HA . 18736 1
68 . 1 1 13 13 PRO HB2 H 1 2.328 0.001 . 1 . . . A 13 PRO HB2 . 18736 1
69 . 1 1 13 13 PRO HB3 H 1 2.328 0.001 . 1 . . . A 13 PRO HB3 . 18736 1
70 . 1 1 13 13 PRO HG2 H 1 2.042 0.001 . 1 . . . A 13 PRO HG2 . 18736 1
71 . 1 1 13 13 PRO HG3 H 1 2.042 0.001 . 1 . . . A 13 PRO HG3 . 18736 1
72 . 1 1 13 13 PRO HD2 H 1 3.633 0.000 . 1 . . . A 13 PRO HD2 . 18736 1
73 . 1 1 13 13 PRO HD3 H 1 3.362 0.000 . 1 . . . A 13 PRO HD3 . 18736 1
74 . 1 1 14 14 ASP H H 1 8.806 0.000 . 1 . . . A 14 ASP H . 18736 1
75 . 1 1 14 14 ASP HA H 1 4.450 0.000 . 1 . . . A 14 ASP HA . 18736 1
76 . 1 1 14 14 ASP HB2 H 1 2.751 0.001 . 1 . . . A 14 ASP HB2 . 18736 1
77 . 1 1 14 14 ASP HB3 H 1 2.849 0.000 . 1 . . . A 14 ASP HB3 . 18736 1
78 . 1 1 15 15 LEU H H 1 7.636 0.001 . 1 . . . A 15 LEU H . 18736 1
79 . 1 1 15 15 LEU HA H 1 4.373 0.001 . 1 . . . A 15 LEU HA . 18736 1
80 . 1 1 15 15 LEU HB2 H 1 1.825 0.000 . 1 . . . A 15 LEU HB2 . 18736 1
81 . 1 1 15 15 LEU HB3 H 1 1.825 0.000 . 1 . . . A 15 LEU HB3 . 18736 1
82 . 1 1 15 15 LEU HG H 1 1.559 0.001 . 1 . . . A 15 LEU HG . 18736 1
83 . 1 1 15 15 LEU HD11 H 1 0.766 0.001 . 1 . . . A 15 LEU HD11 . 18736 1
84 . 1 1 15 15 LEU HD12 H 1 0.766 0.001 . 1 . . . A 15 LEU HD12 . 18736 1
85 . 1 1 15 15 LEU HD13 H 1 0.766 0.001 . 1 . . . A 15 LEU HD13 . 18736 1
86 . 1 1 15 15 LEU HD21 H 1 0.850 0.001 . 1 . . . A 15 LEU HD21 . 18736 1
87 . 1 1 15 15 LEU HD22 H 1 0.850 0.001 . 1 . . . A 15 LEU HD22 . 18736 1
88 . 1 1 15 15 LEU HD23 H 1 0.850 0.001 . 1 . . . A 15 LEU HD23 . 18736 1
89 . 1 1 16 16 CYS H H 1 7.744 0.000 . 1 . . . A 16 CYS H . 18736 1
90 . 1 1 16 16 CYS HA H 1 4.940 0.000 . 1 . . . A 16 CYS HA . 18736 1
91 . 1 1 16 16 CYS HB2 H 1 2.651 0.000 . 1 . . . A 16 CYS HB2 . 18736 1
92 . 1 1 16 16 CYS HB3 H 1 3.334 0.000 . 1 . . . A 16 CYS HB3 . 18736 1
stop_
save_