###################################
# 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 34099
_Assigned_chem_shift_list.ID 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 .
_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-1H NOESY' . . . 34099 1
2 '2D 1H-1H NOESY' . . . 34099 1
3 '2D 1H-1H NOESY' . . . 34099 1
4 '2D 1H-1H TOCSY' . . . 34099 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.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 GLY H H 1 8.503 0 . . . . . . A 292 GLY H1 . 34099 1
2 . 1 1 2 2 SER H H 1 8.47 0 . . . . . . A 293 SER H . 34099 1
3 . 1 1 3 3 LYS H H 1 8.606 0.001 . . . . . . A 294 LYS H . 34099 1
4 . 1 1 4 4 ASP H H 1 8.255 0 . . . . . . A 295 ASP H . 34099 1
5 . 1 1 5 5 ASN H H 1 8.355 0.001 . . . . . . A 296 ASN H . 34099 1
6 . 1 1 6 6 ILE H H 1 8.07 0.001 . . . . . . A 297 ILE H . 34099 1
7 . 1 1 7 7 LYS H H 1 8.422 0.001 . . . . . . A 298 LYS H . 34099 1
8 . 1 1 8 8 HIS H H 1 8.504 0.001 . . . . . . A 299 HIS H . 34099 1
9 . 1 1 9 9 VAL H H 1 8.317 0.002 . . . . . . A 300 VAL H . 34099 1
10 . 1 1 10 10 PRO HA H 1 4.352 0.001 . . . . . . A 301 PRO HA . 34099 1
11 . 1 1 10 10 PRO HG2 H 1 1.903 0.002 . . . . . . A 301 PRO HG2 . 34099 1
12 . 1 1 10 10 PRO HG3 H 1 1.952 0.003 . . . . . . A 301 PRO HG3 . 34099 1
13 . 1 1 11 11 GLY H H 1 8.779 0.001 . . . . . . A 302 GLY H . 34099 1
14 . 1 1 12 12 GLY H H 1 8.46 0.002 . . . . . . A 303 GLY H . 34099 1
15 . 1 1 13 13 GLY H H 1 8.432 0 . . . . . . A 304 GLY H . 34099 1
16 . 1 1 14 14 SER H H 1 8.338 0 . . . . . . A 305 SER H . 34099 1
17 . 1 1 15 15 VAL H H 1 8.288 0.001 . . . . . . A 306 VAL H . 34099 1
18 . 1 1 16 16 GLN H H 1 8.555 0.001 . . . . . . A 307 GLN H . 34099 1
19 . 1 1 17 17 ILE H H 1 8.408 0.004 . . . . . . A 308 ILE H . 34099 1
20 . 1 1 18 18 VAL H H 1 8.323 0.001 . . . . . . A 309 VAL H . 34099 1
21 . 1 1 19 19 TYR H H 1 8.588 0.001 . . . . . . A 310 TYR H . 34099 1
22 . 1 1 20 20 LYS H H 1 8.257 0.001 . . . . . . A 311 LYS H . 34099 1
23 . 1 1 21 21 PRO HA H 1 4.309 0.001 . . . . . . A 312 PRO HA . 34099 1
24 . 1 1 21 21 PRO HG2 H 1 1.849 0.001 . . . . . . A 312 PRO HG2 . 34099 1
25 . 1 1 21 21 PRO HG3 H 1 1.948 0.001 . . . . . . A 312 PRO HG3 . 34099 1
26 . 1 1 22 22 VAL H H 1 8.307 0.001 . . . . . . A 313 VAL H . 34099 1
27 . 1 1 23 23 ASP H H 1 8.508 0.001 . . . . . . A 314 ASP H . 34099 1
28 . 1 1 24 24 LEU H H 1 8.673 0.001 . . . . . . A 315 LEU H . 34099 1
29 . 1 1 25 25 SER H H 1 8.49 0.001 . . . . . . A 316 SER H . 34099 1
30 . 1 1 26 26 LYS H H 1 8.023 0.001 . . . . . . A 317 LYS H . 34099 1
31 . 1 1 27 27 VAL H H 1 8.057 0.001 . . . . . . A 318 VAL H . 34099 1
32 . 1 1 28 28 THR H H 1 8.272 0.001 . . . . . . A 319 THR H . 34099 1
stop_
save_