###################################
# 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_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 36284
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 $chem_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-15N HSQC' 1 $sample_1 isotropic 36284 1
2 '2D 1H-15N HSQC' 4 $sample_2 isotropic 36284 1
3 '2D 1H-15N HSQC' 5 $sample_3 isotropic 36284 1
4 '2D 1H-15N HSQC' 6 $sample_4 isotropic 36284 1
5 '2D 1H-15N HSQC' 7 $sample_5 isotropic 36284 1
6 '2D 1H-15N HSQC' 8 $sample_6 isotropic 36284 1
7 '2D 1H-15N HSQC' 9 $sample_7 isotropic 36284 1
8 '2D 1H-15N HSQC' 10 $sample_8 isotropic 36284 1
9 '2D 1H-15N HSQC' 11 $sample_9 isotropic 36284 1
10 '2D 1H-15N HSQC' 2 $sample_10 isotropic 36284 1
11 '2D 1H-15N HSQC' 3 $sample_11 isotropic 36284 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 19 19 LEU H H 1 7.96 0.02 . 1 . . . . A 42 LEU HN . 36284 1
2 . 1 . 1 19 19 LEU N N 15 122.09 0.30 . 1 . . . . A 42 LEU N . 36284 1
3 . 1 . 1 22 22 LEU H H 1 8.23 0.02 . 1 . . . . A 45 LEU HN . 36284 1
4 . 1 . 1 22 22 LEU N N 15 117.04 0.30 . 1 . . . . A 45 LEU N . 36284 1
5 . 1 . 1 30 30 LEU H H 1 8.01 0.02 . 1 . . . . A 53 LEU HN . 36284 1
6 . 1 . 1 30 30 LEU N N 15 123.43 0.30 . 1 . . . . A 53 LEU N . 36284 1
7 . 1 . 1 41 41 LEU H H 1 7.88 0.02 . 1 . . . . A 64 LEU HN . 36284 1
8 . 1 . 1 41 41 LEU N N 15 117.45 0.30 . 1 . . . . A 64 LEU N . 36284 1
9 . 1 . 1 57 57 LEU H H 1 8.90 0.02 . 1 . . . . A 80 LEU HN . 36284 1
10 . 1 . 1 57 57 LEU N N 15 122.03 0.30 . 1 . . . . A 80 LEU N . 36284 1
11 . 1 . 1 61 61 LEU H H 1 8.13 0.02 . 1 . . . . A 84 LEU HN . 36284 1
12 . 1 . 1 61 61 LEU N N 15 114.37 0.30 . 1 . . . . A 84 LEU N . 36284 1
13 . 1 . 1 92 92 LEU H H 1 8.64 0.02 . 1 . . . . A 115 LEU HN . 36284 1
14 . 1 . 1 92 92 LEU N N 15 124.09 0.30 . 1 . . . . A 115 LEU N . 36284 1
15 . 1 . 1 121 121 LEU H H 1 8.04 0.02 . 1 . . . . A 144 LEU HN . 36284 1
16 . 1 . 1 121 121 LEU N N 15 120.20 0.30 . 1 . . . . A 144 LEU N . 36284 1
17 . 1 . 1 122 122 LEU H H 1 7.61 0.02 . 1 . . . . A 145 LEU HN . 36284 1
18 . 1 . 1 122 122 LEU N N 15 120.86 0.30 . 1 . . . . A 145 LEU N . 36284 1
19 . 1 . 1 132 132 LEU H H 1 8.21 0.02 . 1 . . . . A 155 LEU HN . 36284 1
20 . 1 . 1 132 132 LEU N N 15 120.15 0.30 . 1 . . . . A 155 LEU N . 36284 1
21 . 1 . 1 140 140 LEU H H 1 8.65 0.02 . 1 . . . . A 163 LEU HN . 36284 1
22 . 1 . 1 140 140 LEU N N 15 122.57 0.30 . 1 . . . . A 163 LEU N . 36284 1
23 . 1 . 1 144 144 LEU H H 1 7.15 0.02 . 1 . . . . A 167 LEU HN . 36284 1
24 . 1 . 1 144 144 LEU N N 15 113.94 0.30 . 1 . . . . A 167 LEU N . 36284 1
25 . 1 . 1 189 189 LEU H H 1 7.95 0.02 . 1 . . . . A 212 LEU HN . 36284 1
26 . 1 . 1 189 189 LEU N N 15 116.72 0.30 . 1 . . . . A 212 LEU N . 36284 1
27 . 1 . 1 207 207 LEU H H 1 7.85 0.02 . 1 . . . . A 230 LEU HN . 36284 1
28 . 1 . 1 207 207 LEU N N 15 120.52 0.30 . 1 . . . . A 230 LEU N . 36284 1
29 . 1 . 1 243 243 CYS H H 1 8.11 0.02 . 1 . . . . A 266 CYS HN . 36284 1
30 . 1 . 1 243 243 CYS N N 15 121.21 0.30 . 1 . . . . A 266 CYS N . 36284 1
31 . 1 . 1 261 261 LEU H H 1 8.39 0.02 . 1 . . . . A 284 LEU HN . 36284 1
32 . 1 . 1 261 261 LEU N N 15 124.84 0.30 . 1 . . . . A 284 LEU N . 36284 1
33 . 1 . 1 264 264 LEU H H 1 7.81 0.02 . 1 . . . . A 287 LEU HN . 36284 1
34 . 1 . 1 264 264 LEU N N 15 120.47 0.30 . 1 . . . . A 287 LEU N . 36284 1
35 . 1 . 1 288 288 LEU H H 1 8.31 0.02 . 1 . . . . A 311 LEU HN . 36284 1
36 . 1 . 1 288 288 LEU N N 15 114.41 0.30 . 1 . . . . A 311 LEU N . 36284 1
37 . 1 . 1 317 317 LEU H H 1 7.77 0.02 . 1 . . . . A 340 LEU HN . 36284 1
38 . 1 . 1 317 317 LEU N N 15 116.41 0.30 . 1 . . . . A 340 LEU N . 36284 1
stop_
save_