###################################
# 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_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 7177
_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 '2D NOESY' 1 $sample_1 . 7177 1
2 '2D TOCSY' 1 $sample_1 . 7177 1
3 DQF-COSY 1 $sample_1 . 7177 1
4 E-COSY 1 $sample_1 . 7177 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.Ambiguity_set_ID
_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 3.561 0.002 . 2 . . . . . . . . . 7177 1
2 . 1 1 2 2 CYS HA H 1 4.180 0.001 . 1 . . . . . . . . . 7177 1
3 . 1 1 2 2 CYS HB2 H 1 2.274 0.003 . 1 . . . . . . . . . 7177 1
4 . 1 1 2 2 CYS HB3 H 1 2.910 0.001 . 1 . . . . . . . . . 7177 1
5 . 1 1 2 2 CYS H H 1 8.637 0.002 . 1 . . . . . . . . . 7177 1
6 . 1 1 3 3 CYS HA H 1 4.182 0.000 . 1 . . . . . . . . . 7177 1
7 . 1 1 3 3 CYS HB2 H 1 2.425 0.069 . 1 . . . . . . . . . 7177 1
8 . 1 1 3 3 CYS HB3 H 1 3.056 0.003 . 1 . . . . . . . . . 7177 1
9 . 1 1 3 3 CYS H H 1 8.484 0.002 . 1 . . . . . . . . . 7177 1
10 . 1 1 4 4 SER HA H 1 4.178 0.004 . 1 . . . . . . . . . 7177 1
11 . 1 1 4 4 SER HB2 H 1 3.623 0.002 . 1 . . . . . . . . . 7177 1
12 . 1 1 4 4 SER HB3 H 1 3.714 0.004 . 1 . . . . . . . . . 7177 1
13 . 1 1 4 4 SER H H 1 7.633 0.003 . 1 . . . . . . . . . 7177 1
14 . 1 1 5 5 ASP HA H 1 4.925 0.003 . 1 . . . . . . . . . 7177 1
15 . 1 1 5 5 ASP HB2 H 1 2.507 0.004 . 1 . . . . . . . . . 7177 1
16 . 1 1 5 5 ASP HB3 H 1 2.895 0.000 . 1 . . . . . . . . . 7177 1
17 . 1 1 5 5 ASP H H 1 7.760 0.005 . 1 . . . . . . . . . 7177 1
18 . 1 1 6 6 PRO HA H 1 3.966 0.001 . 1 . . . . . . . . . 7177 1
19 . 1 1 6 6 PRO HB2 H 1 1.663 0.004 . 1 . . . . . . . . . 7177 1
20 . 1 1 6 6 PRO HB3 H 1 2.055 0.002 . 1 . . . . . . . . . 7177 1
21 . 1 1 6 6 PRO HD2 H 1 3.583 0.002 . 1 . . . . . . . . . 7177 1
22 . 1 1 6 6 PRO HD3 H 1 3.795 0.002 . 1 . . . . . . . . . 7177 1
23 . 1 1 6 6 PRO HG2 H 1 1.731 0.002 . 1 . . . . . . . . . 7177 1
24 . 1 1 6 6 PRO HG3 H 1 1.827 0.001 . 1 . . . . . . . . . 7177 1
25 . 1 1 7 7 ARG HA H 1 3.845 0.003 . 1 . . . . . . . . . 7177 1
26 . 1 1 7 7 ARG HE H 1 6.986 0.001 . 1 . . . . . . . . . 7177 1
27 . 1 1 7 7 ARG H H 1 7.774 0.003 . 1 . . . . . . . . . 7177 1
28 . 1 1 7 7 ARG HB2 H 1 1.560 0.002 . 2 . . . . . . . . . 7177 1
29 . 1 1 7 7 ARG HD2 H 1 2.892 0.001 . 2 . . . . . . . . . 7177 1
30 . 1 1 7 7 ARG HG2 H 1 1.342 0.002 . 2 . . . . . . . . . 7177 1
31 . 1 1 8 8 CYS HA H 1 4.135 0.001 . 1 . . . . . . . . . 7177 1
32 . 1 1 8 8 CYS HB2 H 1 2.942 0.003 . 1 . . . . . . . . . 7177 1
33 . 1 1 8 8 CYS HB3 H 1 3.960 0.006 . 1 . . . . . . . . . 7177 1
34 . 1 1 8 8 CYS H H 1 7.717 0.005 . 1 . . . . . . . . . 7177 1
35 . 1 1 9 9 ASN HA H 1 4.119 0.002 . 1 . . . . . . . . . 7177 1
36 . 1 1 9 9 ASN HB2 H 1 2.576 0.003 . 1 . . . . . . . . . 7177 1
37 . 1 1 9 9 ASN HB3 H 1 2.623 0.019 . 1 . . . . . . . . . 7177 1
38 . 1 1 9 9 ASN H H 1 8.705 0.005 . 1 . . . . . . . . . 7177 1
39 . 1 1 10 10 TYR HA H 1 3.808 0.002 . 1 . . . . . . . . . 7177 1
40 . 1 1 10 10 TYR HB2 H 1 2.728 0.002 . 1 . . . . . . . . . 7177 1
41 . 1 1 10 10 TYR HB3 H 1 2.889 0.002 . 1 . . . . . . . . . 7177 1
42 . 1 1 10 10 TYR H H 1 7.714 0.002 . 1 . . . . . . . . . 7177 1
43 . 1 1 10 10 TYR HD2 H 1 6.791 0.003 . 3 . . . . . . . . . 7177 1
44 . 1 1 10 10 TYR HE2 H 1 6.484 0.001 . 3 . . . . . . . . . 7177 1
45 . 1 1 11 11 ASP HA H 1 4.184 0.003 . 1 . . . . . . . . . 7177 1
46 . 1 1 11 11 ASP HB2 H 1 2.322 0.007 . 1 . . . . . . . . . 7177 1
47 . 1 1 11 11 ASP HB3 H 1 2.567 0.003 . 1 . . . . . . . . . 7177 1
48 . 1 1 11 11 ASP H H 1 7.463 0.001 . 1 . . . . . . . . . 7177 1
49 . 1 1 12 12 HIS HA H 1 4.850 0.001 . 1 . . . . . . . . . 7177 1
50 . 1 1 12 12 HIS HB2 H 1 2.728 0.002 . 1 . . . . . . . . . 7177 1
51 . 1 1 12 12 HIS HB3 H 1 2.920 0.002 . 1 . . . . . . . . . 7177 1
52 . 1 1 12 12 HIS HD2 H 1 8.427 0.001 . 1 . . . . . . . . . 7177 1
53 . 1 1 12 12 HIS HE1 H 1 7.165 0.004 . 1 . . . . . . . . . 7177 1
54 . 1 1 12 12 HIS H H 1 7.562 0.001 . 1 . . . . . . . . . 7177 1
55 . 1 1 13 13 PRO HA H 1 4.195 0.002 . 1 . . . . . . . . . 7177 1
56 . 1 1 13 13 PRO HD2 H 1 3.065 0.004 . 1 . . . . . . . . . 7177 1
57 . 1 1 13 13 PRO HD3 H 1 3.190 0.002 . 1 . . . . . . . . . 7177 1
58 . 1 1 13 13 PRO HB2 H 1 1.970 0.001 . 2 . . . . . . . . . 7177 1
59 . 1 1 13 13 PRO HG2 H 1 1.636 0.005 . 2 . . . . . . . . . 7177 1
60 . 1 1 14 14 GLU HA H 1 3.924 0.001 . 1 . . . . . . . . . 7177 1
61 . 1 1 14 14 GLU HB2 H 1 1.781 0.001 . 1 . . . . . . . . . 7177 1
62 . 1 1 14 14 GLU HB3 H 1 1.832 0.006 . 1 . . . . . . . . . 7177 1
63 . 1 1 14 14 GLU HG2 H 1 2.149 0.004 . 1 . . . . . . . . . 7177 1
64 . 1 1 14 14 GLU HG3 H 1 2.264 0.005 . 1 . . . . . . . . . 7177 1
65 . 1 1 14 14 GLU H H 1 8.613 0.001 . 1 . . . . . . . . . 7177 1
66 . 1 1 15 15 ILE HA H 1 3.926 0.001 . 1 . . . . . . . . . 7177 1
67 . 1 1 15 15 ILE HB H 1 1.622 0.006 . 1 . . . . . . . . . 7177 1
68 . 1 1 15 15 ILE HG12 H 1 0.847 0.006 . 1 . . . . . . . . . 7177 1
69 . 1 1 15 15 ILE HG13 H 1 1.332 0.004 . 1 . . . . . . . . . 7177 1
70 . 1 1 15 15 ILE H H 1 7.170 0.007 . 1 . . . . . . . . . 7177 1
71 . 1 1 15 15 ILE HD11 H 1 0.463 0.004 . 1 . . . . . . . . . 7177 1
72 . 1 1 15 15 ILE HD12 H 1 0.463 0.004 . 1 . . . . . . . . . 7177 1
73 . 1 1 15 15 ILE HD13 H 1 0.463 0.004 . 1 . . . . . . . . . 7177 1
74 . 1 1 15 15 ILE HG21 H 1 0.564 0.003 . 1 . . . . . . . . . 7177 1
75 . 1 1 15 15 ILE HG22 H 1 0.564 0.003 . 1 . . . . . . . . . 7177 1
76 . 1 1 15 15 ILE HG23 H 1 0.564 0.003 . 1 . . . . . . . . . 7177 1
77 . 1 1 16 16 CYS HA H 1 4.542 0.004 . 1 . . . . . . . . . 7177 1
78 . 1 1 16 16 CYS HB2 H 1 2.342 0.008 . 1 . . . . . . . . . 7177 1
79 . 1 1 16 16 CYS HB3 H 1 2.992 0.004 . 1 . . . . . . . . . 7177 1
80 . 1 1 16 16 CYS H H 1 7.781 0.005 . 1 . . . . . . . . . 7177 1
stop_
save_