###################################
# 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 5815
_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 PISEMA-Polarization 1 $sample_1 . 5815 1
2 'Inversion and Spin Exchange at the Magic Angle' 1 $sample_1 . 5815 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 7 7 ALA N N 15 179.4 . . 1 . . . . . . . . 5815 1
2 . 1 1 8 8 LYS N N 15 217 . . 1 . . . . . . . . 5815 1
3 . 1 1 9 9 ALA N N 15 219.6 . . 1 . . . . . . . . 5815 1
4 . 1 1 10 10 ALA N N 15 159.5 . . 1 . . . . . . . . 5815 1
5 . 1 1 11 11 PHE N N 15 197.2 . . 1 . . . . . . . . 5815 1
6 . 1 1 12 12 ASP N N 15 216.7 . . 1 . . . . . . . . 5815 1
7 . 1 1 13 13 SER N N 15 172.3 . . 1 . . . . . . . . 5815 1
8 . 1 1 14 14 LEU N N 15 183.5 . . 1 . . . . . . . . 5815 1
9 . 1 1 15 15 GLN N N 15 216.5 . . 1 . . . . . . . . 5815 1
10 . 1 1 16 16 ALA N N 15 217.9 . . 1 . . . . . . . . 5815 1
11 . 1 1 17 17 SER N N 15 169.8 . . 1 . . . . . . . . 5815 1
12 . 1 1 18 18 ALA N N 15 200 . . 1 . . . . . . . . 5815 1
13 . 1 1 19 19 THR N N 15 211.5 . . 1 . . . . . . . . 5815 1
14 . 1 1 20 20 GLU N N 15 203.8 . . 1 . . . . . . . . 5815 1
15 . 1 1 21 21 MET N N 15 179 . . 1 . . . . . . . . 5815 1
16 . 1 1 22 22 ILE N N 15 199 . . 1 . . . . . . . . 5815 1
17 . 1 1 23 23 GLY N N 15 211.8 . . 1 . . . . . . . . 5815 1
18 . 1 1 24 24 TYR N N 15 190.4 . . 1 . . . . . . . . 5815 1
19 . 1 1 25 25 ALA N N 15 175 . . 1 . . . . . . . . 5815 1
20 . 1 1 26 26 TRP N N 15 207.7 . . 1 . . . . . . . . 5815 1
21 . 1 1 27 27 ALA N N 15 214.6 . . 1 . . . . . . . . 5815 1
22 . 1 1 28 28 MET N N 15 166.2 . . 1 . . . . . . . . 5815 1
23 . 1 1 29 29 VAL N N 15 185.3 . . 1 . . . . . . . . 5815 1
24 . 1 1 30 30 VAL N N 15 217 . . 1 . . . . . . . . 5815 1
25 . 1 1 31 31 VAL N N 15 210 . . 1 . . . . . . . . 5815 1
26 . 1 1 32 32 ILE N N 15 164 . . 1 . . . . . . . . 5815 1
27 . 1 1 33 33 VAL N N 15 193.2 . . 1 . . . . . . . . 5815 1
28 . 1 1 34 34 GLY N N 15 216 . . 1 . . . . . . . . 5815 1
29 . 1 1 35 35 ALA N N 15 192 . . 1 . . . . . . . . 5815 1
30 . 1 1 36 36 THR N N 15 159.6 . . 1 . . . . . . . . 5815 1
31 . 1 1 37 37 ILE N N 15 202 . . 1 . . . . . . . . 5815 1
32 . 1 1 38 38 GLY N N 15 210.8 . . 1 . . . . . . . . 5815 1
33 . 1 1 39 39 ILE N N 15 209.2 . . 1 . . . . . . . . 5815 1
34 . 1 1 40 40 LYS N N 15 201.5 . . 1 . . . . . . . . 5815 1
35 . 1 1 41 41 LEU N N 15 216.6 . . 1 . . . . . . . . 5815 1
36 . 1 1 42 42 PHE N N 15 229 . . 1 . . . . . . . . 5815 1
37 . 1 1 43 43 LYS N N 15 206.3 . . 1 . . . . . . . . 5815 1
38 . 1 1 44 44 LYS N N 15 192.5 . . 1 . . . . . . . . 5815 1
39 . 1 1 45 45 PHE N N 15 215.7 . . 1 . . . . . . . . 5815 1
40 . 1 1 46 46 THR N N 15 210.5 . . 1 . . . . . . . . 5815 1
41 . 1 1 47 47 SER N N 15 196.2 . . 1 . . . . . . . . 5815 1
42 . 1 1 48 48 LYS N N 15 190.2 . . 1 . . . . . . . . 5815 1
43 . 1 1 49 49 ALA N N 15 205.4 . . 1 . . . . . . . . 5815 1
stop_
save_