###################################
# 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 21057
_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' 1 $sample_1 isotropic 21057 1
2 '2D DQF-COSY' 1 $sample_1 isotropic 21057 1
3 '2D 1H-1H NOESY' 1 $sample_1 isotropic 21057 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 H H 1 8.30 0.01 . . . . . . 1 GLY H . 21057 1
2 . 1 1 1 1 GLY HA2 H 1 4.06 0.01 . . . . . . 1 GLY QA . 21057 1
3 . 1 1 1 1 GLY HA3 H 1 4.06 0.01 . . . . . . 1 GLY QA . 21057 1
4 . 1 1 2 2 THR H H 1 7.90 0.01 . . . . . . 2 THR H . 21057 1
5 . 1 1 2 2 THR HA H 1 4.47 0.01 . . . . . . 2 THR HA . 21057 1
6 . 1 1 2 2 THR HB H 1 4.20 0.01 . . . . . . 2 THR HB . 21057 1
7 . 1 1 2 2 THR HG21 H 1 1.20 0.01 . . . . . . 2 THR QG2 . 21057 1
8 . 1 1 2 2 THR HG22 H 1 1.20 0.01 . . . . . . 2 THR QG2 . 21057 1
9 . 1 1 2 2 THR HG23 H 1 1.20 0.01 . . . . . . 2 THR QG2 . 21057 1
10 . 1 1 3 3 CYS H H 1 8.77 0.01 . . . . . . 3 CYS H . 21057 1
11 . 1 1 3 3 CYS HA H 1 5.73 0.01 . . . . . . 3 CYS HA . 21057 1
12 . 1 1 3 3 CYS HB2 H 1 3.15 0.01 . . . . . . 3 CYS HB2 . 21057 1
13 . 1 1 3 3 CYS HB3 H 1 2.88 0.01 . . . . . . 3 CYS HB3 . 21057 1
14 . 1 1 4 4 THR H H 1 8.74 0.01 . . . . . . 4 THR H . 21057 1
15 . 1 1 4 4 THR HA H 1 4.41 0.01 . . . . . . 4 THR HA . 21057 1
16 . 1 1 4 4 THR HB H 1 4.55 0.01 . . . . . . 4 THR HB . 21057 1
17 . 1 1 4 4 THR HG21 H 1 1.40 0.01 . . . . . . 4 THR QG2 . 21057 1
18 . 1 1 4 4 THR HG22 H 1 1.40 0.01 . . . . . . 4 THR QG2 . 21057 1
19 . 1 1 4 4 THR HG23 H 1 1.40 0.01 . . . . . . 4 THR QG2 . 21057 1
20 . 1 1 5 5 ARG H H 1 8.56 0.01 . . . . . . 5 ARG H . 21057 1
21 . 1 1 5 5 ARG HA H 1 4.53 0.01 . . . . . . 5 ARG HA . 21057 1
22 . 1 1 5 5 ARG HB2 H 1 2.06 0.01 . . . . . . 5 ARG HB2 . 21057 1
23 . 1 1 5 5 ARG HD2 H 1 3.23 0.01 . . . . . . 5 ARG QD . 21057 1
24 . 1 1 5 5 ARG HD3 H 1 3.23 0.01 . . . . . . 5 ARG QD . 21057 1
25 . 1 1 5 5 ARG HG2 H 1 1.69 0.01 . . . . . . 5 ARG QG . 21057 1
26 . 1 1 5 5 ARG HG3 H 1 1.69 0.01 . . . . . . 5 ARG QG . 21057 1
27 . 1 1 6 6 SER H H 1 7.32 0.01 . . . . . . 6 SER H . 21057 1
28 . 1 1 6 6 SER HA H 1 4.41 0.01 . . . . . . 6 SER HA . 21057 1
29 . 1 1 6 6 SER HB2 H 1 3.91 0.01 . . . . . . 6 SER HB2 . 21057 1
30 . 1 1 6 6 SER HB3 H 1 3.78 0.01 . . . . . . 6 SER HB3 . 21057 1
31 . 1 1 7 7 ILE H H 1 8.23 0.01 . . . . . . 7 ILE H . 21057 1
32 . 1 1 7 7 ILE HA H 1 4.32 0.01 . . . . . . 7 ILE HA . 21057 1
33 . 1 1 7 7 ILE HB H 1 1.80 0.01 . . . . . . 7 ILE HB . 21057 1
34 . 1 1 7 7 ILE HD11 H 1 0.85 0.01 . . . . . . 7 ILE QD1 . 21057 1
35 . 1 1 7 7 ILE HD12 H 1 0.85 0.01 . . . . . . 7 ILE QD1 . 21057 1
36 . 1 1 7 7 ILE HD13 H 1 0.85 0.01 . . . . . . 7 ILE QD1 . 21057 1
37 . 1 1 7 7 ILE HG12 H 1 1.46 0.01 . . . . . . 7 ILE QG1 . 21057 1
38 . 1 1 7 7 ILE HG13 H 1 1.46 0.01 . . . . . . 7 ILE QG1 . 21057 1
39 . 1 1 7 7 ILE HG21 H 1 1.06 0.01 . . . . . . 7 ILE QG2 . 21057 1
40 . 1 1 7 7 ILE HG22 H 1 1.06 0.01 . . . . . . 7 ILE QG2 . 21057 1
41 . 1 1 7 7 ILE HG23 H 1 1.06 0.01 . . . . . . 7 ILE QG2 . 21057 1
42 . 1 1 8 8 PRO HA H 1 5.10 0.01 . . . . . . 8 PRO HA . 21057 1
43 . 1 1 8 8 PRO HB2 H 1 2.46 0.01 . . . . . . 8 PRO HB2 . 21057 1
44 . 1 1 8 8 PRO HB3 H 1 2.04 0.01 . . . . . . 8 PRO HB3 . 21057 1
45 . 1 1 8 8 PRO HD2 H 1 3.62 0.01 . . . . . . 8 PRO HD1 . 21057 1
46 . 1 1 8 8 PRO HD3 H 1 3.53 0.01 . . . . . . 8 PRO HD2 . 21057 1
47 . 1 1 8 8 PRO HG2 H 1 1.95 0.01 . . . . . . 8 PRO HG1 . 21057 1
48 . 1 1 8 8 PRO HG3 H 1 1.84 0.01 . . . . . . 8 PRO HG2 . 21057 1
49 . 1 1 9 9 PRO HA H 1 4.21 0.01 . . . . . . 9 PRO HA . 21057 1
50 . 1 1 9 9 PRO HB2 H 1 2.44 0.01 . . . . . . 9 PRO HB1 . 21057 1
51 . 1 1 9 9 PRO HB3 H 1 1.86 0.01 . . . . . . 9 PRO HB2 . 21057 1
52 . 1 1 9 9 PRO HD2 H 1 3.82 0.01 . . . . . . 9 PRO HD1 . 21057 1
53 . 1 1 9 9 PRO HD3 H 1 3.71 0.01 . . . . . . 9 PRO HD2 . 21057 1
54 . 1 1 9 9 PRO HG2 H 1 2.12 0.01 . . . . . . 9 PRO HG . 21057 1
55 . 1 1 9 9 PRO HG3 H 1 2.12 0.01 . . . . . . 9 PRO HG . 21057 1
56 . 1 1 10 10 ILE H H 1 8.23 0.01 . . . . . . 10 ILE H . 21057 1
57 . 1 1 10 10 ILE HA H 1 4.32 0.01 . . . . . . 10 ILE HA . 21057 1
58 . 1 1 10 10 ILE HB H 1 1.93 0.01 . . . . . . 10 ILE HB . 21057 1
59 . 1 1 10 10 ILE HD11 H 1 0.86 0.01 . . . . . . 10 ILE QD1 . 21057 1
60 . 1 1 10 10 ILE HD12 H 1 0.86 0.01 . . . . . . 10 ILE QD1 . 21057 1
61 . 1 1 10 10 ILE HD13 H 1 0.86 0.01 . . . . . . 10 ILE QD1 . 21057 1
62 . 1 1 10 10 ILE HG12 H 1 1.46 0.01 . . . . . . 10 ILE QG1 . 21057 1
63 . 1 1 10 10 ILE HG13 H 1 1.46 0.01 . . . . . . 10 ILE QG1 . 21057 1
64 . 1 1 10 10 ILE HG21 H 1 1.15 0.01 . . . . . . 10 ILE QG2 . 21057 1
65 . 1 1 10 10 ILE HG22 H 1 1.15 0.01 . . . . . . 10 ILE QG2 . 21057 1
66 . 1 1 10 10 ILE HG23 H 1 1.15 0.01 . . . . . . 10 ILE QG2 . 21057 1
67 . 1 1 11 11 CYS H H 1 9.07 0.01 . . . . . . 11 CYS H . 21057 1
68 . 1 1 11 11 CYS HA H 1 5.42 0.01 . . . . . . 11 CYS HA . 21057 1
69 . 1 1 11 11 CYS HB2 H 1 2.95 0.01 . . . . . . 11 CYS QB . 21057 1
70 . 1 1 11 11 CYS HB3 H 1 2.95 0.01 . . . . . . 11 CYS QB . 21057 1
71 . 1 1 12 12 ASN H H 1 8.71 0.01 . . . . . . 12 ASN H . 21057 1
72 . 1 1 12 12 ASN HA H 1 5.07 0.01 . . . . . . 12 ASN HA . 21057 1
73 . 1 1 12 12 ASN HB2 H 1 2.95 0.01 . . . . . . 12 ASN QB . 21057 1
74 . 1 1 12 12 ASN HB3 H 1 2.95 0.01 . . . . . . 12 ASN QB . 21057 1
75 . 1 1 12 12 ASN HD21 H 1 7.62 0.01 . . . . . . 12 ASN HD21 . 21057 1
76 . 1 1 12 12 ASN HD22 H 1 6.96 0.01 . . . . . . 12 ASN HD22 . 21057 1
77 . 1 1 13 13 PRO HA H 1 4.40 0.01 . . . . . . 13 PRO HA . 21057 1
78 . 1 1 13 13 PRO HB2 H 1 2.41 0.01 . . . . . . 13 PRO HB2 . 21057 1
79 . 1 1 13 13 PRO HB3 H 1 1.93 0.01 . . . . . . 13 PRO HB3 . 21057 1
80 . 1 1 13 13 PRO HD2 H 1 0.86 0.01 . . . . . . 13 PRO QD . 21057 1
81 . 1 1 13 13 PRO HD3 H 1 0.86 0.01 . . . . . . 13 PRO QD . 21057 1
82 . 1 1 13 13 PRO HG2 H 1 2.10 0.01 . . . . . . 13 PRO HG2 . 21057 1
83 . 1 1 13 13 PRO HG3 H 1 2.02 0.01 . . . . . . 13 PRO HG3 . 21057 1
84 . 1 1 14 14 ASN H H 1 8.23 0.01 . . . . . . 14 ASN H . 21057 1
85 . 1 1 14 14 ASN HA H 1 4.65 0.01 . . . . . . 14 ASN HA . 21057 1
86 . 1 1 14 14 ASN HB2 H 1 3.08 0.01 . . . . . . 14 ASN HB2 . 21057 1
87 . 1 1 14 14 ASN HB3 H 1 2.91 0.01 . . . . . . 14 ASN HB3 . 21057 1
88 . 1 1 14 14 ASN HD21 H 1 7.57 0.01 . . . . . . 14 ASN HD21 . 21057 1
89 . 1 1 14 14 ASN HD22 H 1 6.93 0.01 . . . . . . 14 ASN HD22 . 21057 1
stop_
save_