###################################
# 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 51921
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'NT8-13 bound enNTS1DM4 13CH3-Met (experiment 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 $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 'Multiple peaks (in slow exchange) were observed for residues M204 & M352'
_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-13C HMQC' . . . 51921 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
3 $software_3 . . 51921 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 . 1 166 166 MET HE1 H 1 2.037 . . 1 . . . . . 204 M HE . 51921 1
2 . 1 . 1 166 166 MET HE2 H 1 2.037 . . 1 . . . . . 204 M HE . 51921 1
3 . 1 . 1 166 166 MET HE3 H 1 2.037 . . 1 . . . . . 204 M HE . 51921 1
4 . 1 . 1 166 166 MET CE C 13 15.942 . . 1 . . . . . 204 M CE . 51921 1
5 . 1 . 1 206 206 MET HE1 H 1 1.907 . . 1 . . . . . 244 M HE . 51921 1
6 . 1 . 1 206 206 MET HE2 H 1 1.907 . . 1 . . . . . 244 M HE . 51921 1
7 . 1 . 1 206 206 MET HE3 H 1 1.907 . . 1 . . . . . 244 M HE . 51921 1
8 . 1 . 1 206 206 MET CE C 13 16.227 . . 1 . . . . . 244 M CE . 51921 1
9 . 1 . 1 212 212 MET HE1 H 1 1.628 . . 1 . . . . . 250 M HE . 51921 1
10 . 1 . 1 212 212 MET HE2 H 1 1.628 . . 1 . . . . . 250 M HE . 51921 1
11 . 1 . 1 212 212 MET HE3 H 1 1.628 . . 1 . . . . . 250 M HE . 51921 1
12 . 1 . 1 212 212 MET CE C 13 17.700 . . 1 . . . . . 250 M CE . 51921 1
13 . 1 . 1 292 292 MET HE1 H 1 2.141 . . 1 . . . . . 330 M HE . 51921 1
14 . 1 . 1 292 292 MET HE2 H 1 2.141 . . 1 . . . . . 330 M HE . 51921 1
15 . 1 . 1 292 292 MET HE3 H 1 2.141 . . 1 . . . . . 330 M HE . 51921 1
16 . 1 . 1 292 292 MET CE C 13 17.399 . . 1 . . . . . 330 M CE . 51921 1
17 . 1 . 1 314 314 MET HE1 H 1 1.965 . . 1 . . . . . 352 M HE . 51921 1
18 . 1 . 1 314 314 MET HE2 H 1 1.965 . . 1 . . . . . 352 M HE . 51921 1
19 . 1 . 1 314 314 MET HE3 H 1 1.965 . . 1 . . . . . 352 M HE . 51921 1
20 . 1 . 1 314 314 MET CE C 13 17.769 . . 1 . . . . . 352 M CE . 51921 1
21 . 2 . 1 166 166 MET HE1 H 1 2.026 . . 1 . . . . . 204 M HE . 51921 1
22 . 2 . 1 166 166 MET HE2 H 1 2.026 . . 1 . . . . . 204 M HE . 51921 1
23 . 2 . 1 166 166 MET HE3 H 1 2.026 . . 1 . . . . . 204 M HE . 51921 1
24 . 2 . 1 166 166 MET CE C 13 16.024 . . 1 . . . . . 204 M CE . 51921 1
25 . 2 . 1 314 314 MET HE1 H 1 2.070 . . 1 . . . . . 352 M HE . 51921 1
26 . 2 . 1 314 314 MET HE2 H 1 2.070 . . 1 . . . . . 352 M HE . 51921 1
27 . 2 . 1 314 314 MET HE3 H 1 2.070 . . 1 . . . . . 352 M HE . 51921 1
28 . 2 . 1 314 314 MET CE C 13 17.255 . . 1 . . . . . 352 M CE . 51921 1
29 . 3 . 1 166 166 MET HE1 H 1 2.017 . . 1 . . . . . 204 M HE . 51921 1
30 . 3 . 1 166 166 MET HE2 H 1 2.017 . . 1 . . . . . 204 M HE . 51921 1
31 . 3 . 1 166 166 MET HE3 H 1 2.017 . . 1 . . . . . 204 M HE . 51921 1
32 . 3 . 1 166 166 MET CE C 13 15.918 . . 1 . . . . . 204 M CE . 51921 1
33 . 3 . 1 314 314 MET HE1 H 1 2.066 . . 1 . . . . . 352 M HE . 51921 1
34 . 3 . 1 314 314 MET HE2 H 1 2.066 . . 1 . . . . . 352 M HE . 51921 1
35 . 3 . 1 314 314 MET HE3 H 1 2.066 . . 1 . . . . . 352 M HE . 51921 1
36 . 3 . 1 314 314 MET CE C 13 17.316 . . 1 . . . . . 352 M CE . 51921 1
37 . 4 . 1 166 166 MET HE1 H 1 2.004 . . 1 . . . . . 204 M HE . 51921 1
38 . 4 . 1 166 166 MET HE2 H 1 2.004 . . 1 . . . . . 204 M HE . 51921 1
39 . 4 . 1 166 166 MET HE3 H 1 2.004 . . 1 . . . . . 204 M HE . 51921 1
40 . 4 . 1 166 166 MET CE C 13 15.976 . . 1 . . . . . 204 M CE . 51921 1
41 . 5 . 1 166 166 MET HE1 H 1 1.993 . . 1 . . . . . 204 M HE . 51921 1
42 . 5 . 1 166 166 MET HE2 H 1 1.993 . . 1 . . . . . 204 M HE . 51921 1
43 . 5 . 1 166 166 MET HE3 H 1 1.993 . . 1 . . . . . 204 M HE . 51921 1
44 . 5 . 1 166 166 MET CE C 13 15.983 . . 1 . . . . . 204 M CE . 51921 1
stop_
save_