###################################
# 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_assignment_data_set_one
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_data_set_one
_Assigned_chem_shift_list.Entry_ID 97
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one
_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 $sample_one . 97 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 MET H H 1 8.43 . . 1 . . . . . . . . 97 1
2 . 1 1 3 3 ASP H H 1 8.66 . . 1 . . . . . . . . 97 1
3 . 1 1 5 5 ASN H H 1 8.78 . . 1 . . . . . . . . 97 1
4 . 1 1 6 6 CYS H H 1 7.51 . . 1 . . . . . . . . 97 1
5 . 1 1 7 7 SER H H 1 8.68 . . 1 . . . . . . . . 97 1
6 . 1 1 8 8 CYS H H 1 8.49 . . 1 . . . . . . . . 97 1
7 . 1 1 9 9 ALA H H 1 8.91 . . 1 . . . . . . . . 97 1
8 . 1 1 10 10 THR H H 1 8.61 . . 1 . . . . . . . . 97 1
9 . 1 1 11 11 ASP H H 1 7.91 . . 1 . . . . . . . . 97 1
10 . 1 1 12 12 GLY H H 1 8.49 . . 1 . . . . . . . . 97 1
11 . 1 1 13 13 SER H H 1 8.18 . . 1 . . . . . . . . 97 1
12 . 1 1 14 14 CYS H H 1 8.13 . . 1 . . . . . . . . 97 1
13 . 1 1 16 16 CYS H H 1 8.64 . . 1 . . . . . . . . 97 1
14 . 1 1 17 17 ALA H H 1 8.2 . . 1 . . . . . . . . 97 1
15 . 1 1 18 18 GLY H H 1 8.64 . . 1 . . . . . . . . 97 1
16 . 1 1 19 19 SER H H 1 8 . . 1 . . . . . . . . 97 1
17 . 1 1 20 20 CYS H H 1 8.26 . . 1 . . . . . . . . 97 1
18 . 1 1 21 21 LYS H H 1 9.14 . . 1 . . . . . . . . 97 1
19 . 1 1 22 22 CYS H H 1 8.61 . . 1 . . . . . . . . 97 1
20 . 1 1 23 23 LYS H H 1 8.85 . . 1 . . . . . . . . 97 1
21 . 1 1 24 24 GLN H H 1 8.99 . . 1 . . . . . . . . 97 1
22 . 1 1 25 25 CYS H H 1 9 . . 1 . . . . . . . . 97 1
23 . 1 1 26 26 LYS H H 1 9.47 . . 1 . . . . . . . . 97 1
24 . 1 1 27 27 LYS H H 1 8.63 . . 1 . . . . . . . . 97 1
25 . 1 1 28 28 THR H H 1 9 . . 1 . . . . . . . . 97 1
26 . 1 1 29 29 SER H H 1 8.32 . . 1 . . . . . . . . 97 1
27 . 1 1 30 30 CYS H H 1 7.42 . . 1 . . . . . . . . 97 1
28 . 1 1 31 31 LYS H H 1 7.57 . . 1 . . . . . . . . 97 1
29 . 1 1 32 32 LYS H H 1 8.46 . . 1 . . . . . . . . 97 1
30 . 1 1 33 33 SER H H 1 8.89 . . 1 . . . . . . . . 97 1
31 . 1 1 34 34 CYS H H 1 8.17 . . 1 . . . . . . . . 97 1
32 . 1 1 35 35 CYS H H 1 8.39 . . 1 . . . . . . . . 97 1
33 . 1 1 36 36 SER H H 1 8.94 . . 1 . . . . . . . . 97 1
34 . 1 1 37 37 CYS H H 1 8.55 . . 1 . . . . . . . . 97 1
35 . 1 1 38 38 CYS H H 1 7.27 . . 1 . . . . . . . . 97 1
36 . 1 1 40 40 VAL H H 1 8.62 . . 1 . . . . . . . . 97 1
37 . 1 1 41 41 GLY H H 1 8.98 . . 1 . . . . . . . . 97 1
38 . 1 1 42 42 CYS H H 1 7.05 . . 1 . . . . . . . . 97 1
39 . 1 1 43 43 ALA H H 1 9.46 . . 1 . . . . . . . . 97 1
40 . 1 1 44 44 LYS H H 1 8.39 . . 1 . . . . . . . . 97 1
41 . 1 1 45 45 CYS H H 1 7.69 . . 1 . . . . . . . . 97 1
42 . 1 1 46 46 SER H H 1 7.41 . . 1 . . . . . . . . 97 1
43 . 1 1 47 47 GLN H H 1 8.3 . . 1 . . . . . . . . 97 1
44 . 1 1 48 48 GLY H H 1 7.4 . . 1 . . . . . . . . 97 1
45 . 1 1 49 49 CYS H H 1 8.89 . . 1 . . . . . . . . 97 1
46 . 1 1 50 50 ILE H H 1 7.23 . . 1 . . . . . . . . 97 1
47 . 1 1 51 51 CYS H H 1 9.17 . . 1 . . . . . . . . 97 1
48 . 1 1 52 52 LYS H H 1 8.56 . . 1 . . . . . . . . 97 1
49 . 1 1 53 53 GLU H H 1 8.52 . . 1 . . . . . . . . 97 1
50 . 1 1 54 54 ALA H H 1 8.41 . . 1 . . . . . . . . 97 1
51 . 1 1 55 55 SER H H 1 8.2 . . 1 . . . . . . . . 97 1
52 . 1 1 56 56 ASP H H 1 8.64 . . 1 . . . . . . . . 97 1
53 . 1 1 57 57 LYS H H 1 7.88 . . 1 . . . . . . . . 97 1
54 . 1 1 58 58 CYS H H 1 8.56 . . 1 . . . . . . . . 97 1
55 . 1 1 60 60 CYS H H 1 8.45 . . 1 . . . . . . . . 97 1
56 . 1 1 61 61 CYS H H 1 7.78 . . 1 . . . . . . . . 97 1
57 . 1 1 62 62 ALA H H 1 7.23 . . 1 . . . . . . . . 97 1
stop_
save_