###################################
# 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 15436
_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 NOESY' . . . 15436 1
2 '2D 1H-1H TOCSY' . . . 15436 1
3 '2D DQF-COSY' . . . 15436 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 3.58 0.02 . 1 . . . . 1 GLY HA2 . 15436 1
2 . 1 1 1 1 GLY HA3 H 1 3.58 0.02 . 1 . . . . 1 GLY HA3 . 15436 1
3 . 1 1 2 2 CYS H H 1 8.88 0.02 . 1 . . . . 2 CYS H . 15436 1
4 . 1 1 2 2 CYS HA H 1 4.77 0.02 . 1 . . . . 2 CYS HA . 15436 1
5 . 1 1 2 2 CYS HB2 H 1 3.08 0.02 . 2 . . . . 2 CYS HB2 . 15436 1
6 . 1 1 2 2 CYS HB3 H 1 3.44 0.02 . 2 . . . . 2 CYS HB3 . 15436 1
7 . 1 1 3 3 CYS H H 1 8.54 0.02 . 1 . . . . 3 CYS H . 15436 1
8 . 1 1 3 3 CYS HA H 1 4.78 0.02 . 1 . . . . 3 CYS HA . 15436 1
9 . 1 1 3 3 CYS HB2 H 1 2.99 0.02 . 2 . . . . 3 CYS HB2 . 15436 1
10 . 1 1 3 3 CYS HB3 H 1 3.35 0.02 . 2 . . . . 3 CYS HB3 . 15436 1
11 . 1 1 4 4 SER H H 1 8.13 0.02 . 1 . . . . 4 SER H . 15436 1
12 . 1 1 4 4 SER HA H 1 4.55 0.02 . 1 . . . . 4 SER HA . 15436 1
13 . 1 1 4 4 SER HB2 H 1 3.94 0.02 . 2 . . . . 4 SER HB2 . 15436 1
14 . 1 1 4 4 SER HB3 H 1 4.03 0.02 . 2 . . . . 4 SER HB3 . 15436 1
15 . 1 1 5 5 ASP H H 1 8.04 0.02 . 1 . . . . 5 ASP H . 15436 1
16 . 1 1 5 5 ASP HA H 1 4.91 0.02 . 1 . . . . 5 ASP HA . 15436 1
17 . 1 1 5 5 ASP HB2 H 1 2.67 0.02 . 2 . . . . 5 ASP HB2 . 15436 1
18 . 1 1 5 5 ASP HB3 H 1 3.09 0.02 . 2 . . . . 5 ASP HB3 . 15436 1
19 . 1 1 6 6 VAL H H 1 8.67 0.02 . 1 . . . . 6 VAL H . 15436 1
20 . 1 1 6 6 VAL HA H 1 3.93 0.02 . 1 . . . . 6 VAL HA . 15436 1
21 . 1 1 6 6 VAL HB H 1 2.25 0.02 . 1 . . . . 6 VAL HB . 15436 1
22 . 1 1 6 6 VAL HG11 H 1 1.06 0.02 . 1 . . . . 6 VAL HG1 . 15436 1
23 . 1 1 6 6 VAL HG12 H 1 1.06 0.02 . 1 . . . . 6 VAL HG1 . 15436 1
24 . 1 1 6 6 VAL HG13 H 1 1.06 0.02 . 1 . . . . 6 VAL HG1 . 15436 1
25 . 1 1 6 6 VAL HG21 H 1 1.06 0.02 . 1 . . . . 6 VAL HG2 . 15436 1
26 . 1 1 6 6 VAL HG22 H 1 1.06 0.02 . 1 . . . . 6 VAL HG2 . 15436 1
27 . 1 1 6 6 VAL HG23 H 1 1.06 0.02 . 1 . . . . 6 VAL HG2 . 15436 1
28 . 1 1 7 7 ARG H H 1 8.54 0.02 . 1 . . . . 7 ARG H . 15436 1
29 . 1 1 7 7 ARG HA H 1 4.32 0.02 . 1 . . . . 7 ARG HA . 15436 1
30 . 1 1 7 7 ARG HB2 H 1 1.82 0.02 . 2 . . . . 7 ARG HB2 . 15436 1
31 . 1 1 7 7 ARG HB3 H 1 1.95 0.02 . 2 . . . . 7 ARG HB3 . 15436 1
32 . 1 1 7 7 ARG HD2 H 1 3.22 0.02 . 1 . . . . 7 ARG HD2 . 15436 1
33 . 1 1 7 7 ARG HD3 H 1 3.22 0.02 . 1 . . . . 7 ARG HD3 . 15436 1
34 . 1 1 7 7 ARG HE H 1 7.53 0.02 . 1 . . . . 7 ARG HE . 15436 1
35 . 1 1 7 7 ARG HG2 H 1 1.71 0.02 . 1 . . . . 7 ARG HG2 . 15436 1
36 . 1 1 7 7 ARG HG3 H 1 1.71 0.02 . 1 . . . . 7 ARG HG3 . 15436 1
37 . 1 1 8 8 CYS H H 1 8.00 0.02 . 1 . . . . 8 CYS H . 15436 1
38 . 1 1 8 8 CYS HA H 1 4.55 0.02 . 1 . . . . 8 CYS HA . 15436 1
39 . 1 1 8 8 CYS HB2 H 1 3.09 0.02 . 2 . . . . 8 CYS HB2 . 15436 1
40 . 1 1 8 8 CYS HB3 H 1 3.40 0.02 . 2 . . . . 8 CYS HB3 . 15436 1
41 . 1 1 9 9 ARG H H 1 8.25 0.02 . 1 . . . . 9 ARG H . 15436 1
42 . 1 1 9 9 ARG HA H 1 4.25 0.02 . 1 . . . . 9 ARG HA . 15436 1
43 . 1 1 9 9 ARG HB2 H 1 1.84 0.02 . 1 . . . . 9 ARG HB2 . 15436 1
44 . 1 1 9 9 ARG HB3 H 1 1.84 0.02 . 1 . . . . 9 ARG HB3 . 15436 1
45 . 1 1 9 9 ARG HD2 H 1 3.14 0.02 . 1 . . . . 9 ARG HD2 . 15436 1
46 . 1 1 9 9 ARG HD3 H 1 3.14 0.02 . 1 . . . . 9 ARG HD3 . 15436 1
47 . 1 1 9 9 ARG HE H 1 7.11 0.02 . 1 . . . . 9 ARG HE . 15436 1
48 . 1 1 9 9 ARG HG2 H 1 1.49 0.02 . 2 . . . . 9 ARG HG2 . 15436 1
49 . 1 1 9 9 ARG HG3 H 1 1.59 0.02 . 2 . . . . 9 ARG HG3 . 15436 1
50 . 1 1 10 10 TYR H H 1 7.68 0.02 . 1 . . . . 10 TYR H . 15436 1
51 . 1 1 10 10 TYR HA H 1 4.62 0.02 . 1 . . . . 10 TYR HA . 15436 1
52 . 1 1 10 10 TYR HB2 H 1 3.03 0.02 . 2 . . . . 10 TYR HB2 . 15436 1
53 . 1 1 10 10 TYR HB3 H 1 3.12 0.02 . 2 . . . . 10 TYR HB3 . 15436 1
54 . 1 1 10 10 TYR HD1 H 1 7.13 0.02 . 1 . . . . 10 TYR HD1 . 15436 1
55 . 1 1 10 10 TYR HD2 H 1 7.13 0.02 . 1 . . . . 10 TYR HD2 . 15436 1
56 . 1 1 10 10 TYR HE1 H 1 6.89 0.02 . 1 . . . . 10 TYR HE1 . 15436 1
57 . 1 1 11 11 ARG H H 1 8.08 0.02 . 1 . . . . 11 ARG H . 15436 1
58 . 1 1 11 11 ARG HA H 1 4.29 0.02 . 1 . . . . 11 ARG HA . 15436 1
59 . 1 1 11 11 ARG HB2 H 1 1.76 0.02 . 2 . . . . 11 ARG HB2 . 15436 1
60 . 1 1 11 11 ARG HB3 H 1 1.85 0.02 . 2 . . . . 11 ARG HB3 . 15436 1
61 . 1 1 11 11 ARG HD2 H 1 3.21 0.02 . 2 . . . . 11 ARG HD2 . 15436 1
62 . 1 1 11 11 ARG HD3 H 1 3.18 0.02 . 2 . . . . 11 ARG HD3 . 15436 1
63 . 1 1 11 11 ARG HE H 1 7.16 0.02 . 1 . . . . 11 ARG HE . 15436 1
64 . 1 1 11 11 ARG HG2 H 1 1.47 0.02 . 1 . . . . 11 ARG HG2 . 15436 1
65 . 1 1 11 11 ARG HG3 H 1 1.47 0.02 . 1 . . . . 11 ARG HG3 . 15436 1
66 . 1 1 12 12 CYS H H 1 8.34 0.02 . 1 . . . . 12 CYS H . 15436 1
67 . 1 1 12 12 CYS HA H 1 4.71 0.02 . 1 . . . . 12 CYS HA . 15436 1
68 . 1 1 12 12 CYS HB2 H 1 3.26 0.02 . 1 . . . . 12 CYS HB2 . 15436 1
69 . 1 1 12 12 CYS HB3 H 1 3.26 0.02 . 1 . . . . 12 CYS HB3 . 15436 1
70 . 1 1 13 13 ARG H H 1 7.88 0.02 . 1 . . . . 13 ARG H . 15436 1
71 . 1 1 13 13 ARG HA H 1 4.22 0.02 . 1 . . . . 13 ARG HA . 15436 1
72 . 1 1 13 13 ARG HB2 H 1 1.75 0.02 . 2 . . . . 13 ARG HB2 . 15436 1
73 . 1 1 13 13 ARG HB3 H 1 1.87 0.02 . 2 . . . . 13 ARG HB3 . 15436 1
74 . 1 1 13 13 ARG HD2 H 1 3.23 0.02 . 1 . . . . 13 ARG HD2 . 15436 1
75 . 1 1 13 13 ARG HD3 H 1 3.23 0.02 . 1 . . . . 13 ARG HD3 . 15436 1
76 . 1 1 13 13 ARG HE H 1 7.21 0.02 . 1 . . . . 13 ARG HE . 15436 1
77 . 1 1 13 13 ARG HG2 H 1 1.60 0.02 . 1 . . . . 13 ARG HG2 . 15436 1
78 . 1 1 13 13 ARG HG3 H 1 1.60 0.02 . 1 . . . . 13 ARG HG3 . 15436 1
stop_
save_