###################################
# 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 50736
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Sul20 in-NTD bound state'
_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' . . . 50736 1
2 '3D HNCA' . . . 50736 1
3 '3D HNCO' . . . 50736 1
4 '3D HNCACB' . . . 50736 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 50736 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 1 1 ALA H H 1 8.338 0.020 . 1 . . . . . 1 ALA H . 50736 1
2 . 1 . 1 1 1 ALA CA C 13 52.955 0.3 . 1 . . . . . 1 ALA CA . 50736 1
3 . 1 . 1 1 1 ALA CB C 13 19.153 0.3 . 1 . . . . . 1 ALA CB . 50736 1
4 . 1 . 1 1 1 ALA N N 15 124.163 0.3 . 1 . . . . . 1 ALA N . 50736 1
5 . 1 . 1 2 2 SER H H 1 8.272 0.020 . 1 . . . . . 2 SER H . 50736 1
6 . 1 . 1 2 2 SER CA C 13 58.681 0.3 . 1 . . . . . 2 SER CA . 50736 1
7 . 1 . 1 2 2 SER CB C 13 63.668 0.3 . 1 . . . . . 2 SER CB . 50736 1
8 . 1 . 1 2 2 SER N N 15 114.365 0.3 . 1 . . . . . 2 SER N . 50736 1
9 . 1 . 1 3 3 SER H H 1 8.135 0.020 . 1 . . . . . 3 SER H . 50736 1
10 . 1 . 1 3 3 SER CA C 13 58.742 0.3 . 1 . . . . . 3 SER CA . 50736 1
11 . 1 . 1 3 3 SER CB C 13 63.728 0.3 . 1 . . . . . 3 SER CB . 50736 1
12 . 1 . 1 3 3 SER N N 15 117.419 0.3 . 1 . . . . . 3 SER N . 50736 1
13 . 1 . 1 5 5 ALA H H 1 8.110 0.020 . 1 . . . . . 5 ALA H . 50736 1
14 . 1 . 1 5 5 ALA CA C 13 53.215 0.3 . 1 . . . . . 5 ALA CA . 50736 1
15 . 1 . 1 5 5 ALA CB C 13 19.153 0.3 . 1 . . . . . 5 ALA CB . 50736 1
16 . 1 . 1 5 5 ALA N N 15 123.829 0.3 . 1 . . . . . 5 ALA N . 50736 1
17 . 1 . 1 6 6 THR H H 1 8.049 0.020 . 1 . . . . . 6 THR H . 50736 1
18 . 1 . 1 6 6 THR CA C 13 62.578 0.3 . 1 . . . . . 6 THR CA . 50736 1
19 . 1 . 1 6 6 THR CB C 13 69.667 0.3 . 1 . . . . . 6 THR CB . 50736 1
20 . 1 . 1 6 6 THR N N 15 112.883 0.3 . 1 . . . . . 6 THR N . 50736 1
21 . 1 . 1 7 7 ARG H H 1 8.180 0.020 . 1 . . . . . 7 ARG H . 50736 1
22 . 1 . 1 7 7 ARG CA C 13 56.631 0.3 . 1 . . . . . 7 ARG CA . 50736 1
23 . 1 . 1 7 7 ARG CB C 13 30.679 0.3 . 1 . . . . . 7 ARG CB . 50736 1
24 . 1 . 1 7 7 ARG N N 15 123.103 0.3 . 1 . . . . . 7 ARG N . 50736 1
25 . 1 . 1 8 8 GLN H H 1 8.311 0.020 . 1 . . . . . 8 GLN H . 50736 1
26 . 1 . 1 8 8 GLN CA C 13 56.030 0.3 . 1 . . . . . 8 GLN CA . 50736 1
27 . 1 . 1 8 8 GLN CB C 13 29.237 0.3 . 1 . . . . . 8 GLN CB . 50736 1
28 . 1 . 1 8 8 GLN N N 15 121.168 0.3 . 1 . . . . . 8 GLN N . 50736 1
29 . 1 . 1 9 9 LEU H H 1 8.235 0.020 . 1 . . . . . 9 LEU H . 50736 1
30 . 1 . 1 9 9 LEU CA C 13 55.429 0.3 . 1 . . . . . 9 LEU CA . 50736 1
31 . 1 . 1 9 9 LEU CB C 13 42.273 0.3 . 1 . . . . . 9 LEU CB . 50736 1
32 . 1 . 1 9 9 LEU N N 15 123.315 0.3 . 1 . . . . . 9 LEU N . 50736 1
33 . 1 . 1 10 10 SER H H 1 8.205 0.020 . 1 . . . . . 10 SER H . 50736 1
34 . 1 . 1 10 10 SER CA C 13 58.703 0.3 . 1 . . . . . 10 SER CA . 50736 1
35 . 1 . 1 10 10 SER CB C 13 63.908 0.3 . 1 . . . . . 10 SER CB . 50736 1
36 . 1 . 1 10 10 SER N N 15 115.967 0.3 . 1 . . . . . 10 SER N . 50736 1
37 . 1 . 1 11 11 GLY H H 1 8.356 0.020 . 1 . . . . . 11 GLY H . 50736 1
38 . 1 . 1 11 11 GLY CA C 13 45.528 0.3 . 1 . . . . . 11 GLY CA . 50736 1
39 . 1 . 1 11 11 GLY N N 15 110.555 0.3 . 1 . . . . . 11 GLY N . 50736 1
40 . 1 . 1 12 12 LEU H H 1 7.918 0.020 . 1 . . . . . 12 LEU H . 50736 1
41 . 1 . 1 12 12 LEU CA C 13 55.369 0.3 . 1 . . . . . 12 LEU CA . 50736 1
42 . 1 . 1 12 12 LEU CB C 13 42.633 0.3 . 1 . . . . . 12 LEU CB . 50736 1
43 . 1 . 1 12 12 LEU N N 15 121.289 0.3 . 1 . . . . . 12 LEU N . 50736 1
44 . 1 . 1 13 13 LYS H H 1 8.263 0.020 . 1 . . . . . 13 LYS H . 50736 1
45 . 1 . 1 13 13 LYS CA C 13 56.270 0.3 . 1 . . . . . 13 LYS CA . 50736 1
46 . 1 . 1 13 13 LYS CB C 13 32.781 0.3 . 1 . . . . . 13 LYS CB . 50736 1
47 . 1 . 1 13 13 LYS N N 15 122.588 0.3 . 1 . . . . . 13 LYS N . 50736 1
48 . 1 . 1 14 14 ILE H H 1 7.999 0.020 . 1 . . . . . 14 ILE H . 50736 1
49 . 1 . 1 14 14 ILE CA C 13 61.136 0.3 . 1 . . . . . 14 ILE CA . 50736 1
50 . 1 . 1 14 14 ILE CB C 13 38.789 0.3 . 1 . . . . . 14 ILE CB . 50736 1
51 . 1 . 1 14 14 ILE N N 15 121.552 0.3 . 1 . . . . . 14 ILE N . 50736 1
52 . 1 . 1 15 15 HIS H H 1 8.257 0.020 . 1 . . . . . 15 HIS H . 50736 1
53 . 1 . 1 15 15 HIS CA C 13 56.259 0.3 . 1 . . . . . 15 HIS CA . 50736 1
54 . 1 . 1 15 15 HIS CB C 13 30.318 0.3 . 1 . . . . . 15 HIS CB . 50736 1
55 . 1 . 1 15 15 HIS N N 15 124.014 0.3 . 1 . . . . . 15 HIS N . 50736 1
56 . 1 . 1 16 16 SER H H 1 8.027 0.020 . 1 . . . . . 16 SER H . 50736 1
57 . 1 . 1 16 16 SER CA C 13 58.725 0.3 . 1 . . . . . 16 SER CA . 50736 1
58 . 1 . 1 16 16 SER N N 15 117.385 0.3 . 1 . . . . . 16 SER N . 50736 1
59 . 1 . 1 17 17 ASN H H 1 8.395 0.020 . 1 . . . . . 17 ASN H . 50736 1
60 . 1 . 1 17 17 ASN CA C 13 53.324 0.3 . 1 . . . . . 17 ASN CA . 50736 1
61 . 1 . 1 17 17 ASN N N 15 121.874 0.3 . 1 . . . . . 17 ASN N . 50736 1
62 . 1 . 1 18 18 LEU H H 1 7.975 0.020 . 1 . . . . . 18 LEU H . 50736 1
63 . 1 . 1 18 18 LEU CA C 13 55.429 0.3 . 1 . . . . . 18 LEU CA . 50736 1
64 . 1 . 1 18 18 LEU CB C 13 42.393 0.3 . 1 . . . . . 18 LEU CB . 50736 1
65 . 1 . 1 18 18 LEU N N 15 121.819 0.3 . 1 . . . . . 18 LEU N . 50736 1
stop_
save_