###################################
# 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_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 27713
_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 $chemical_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' . . . 27713 1
2 '3D HNCO' . . . 27713 1
3 '3D HCACO' . . . 27713 1
4 '3D HN(CO)CA' . . . 27713 1
5 '3D HN(CO)CACB' . . . 27713 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 4 4 GLY H H 1 8.688 0.000 . 1 . . . . . 4 Gly H . 27713 1
2 . 1 1 4 4 GLY N N 15 121.981 0.000 . 1 . . . . . 4 Gly N . 27713 1
3 . 1 1 5 5 ALA H H 1 8.332 0.000 . 1 . . . . . 5 Ala H . 27713 1
4 . 1 1 5 5 ALA N N 15 111.998 0.000 . 1 . . . . . 5 Ala N . 27713 1
5 . 1 1 6 6 SER H H 1 8.517 0.000 . 1 . . . . . 6 Ser H . 27713 1
6 . 1 1 6 6 SER CA C 13 58.747 0.000 . 1 . . . . . 6 Ser CA . 27713 1
7 . 1 1 6 6 SER CB C 13 63.362 0.000 . 1 . . . . . 6 Ser CB . 27713 1
8 . 1 1 6 6 SER N N 15 115.270 0.000 . 1 . . . . . 6 Ser N . 27713 1
9 . 1 1 7 7 LEU H H 1 8.351 0.000 . 1 . . . . . 7 Leu H . 27713 1
10 . 1 1 7 7 LEU CA C 13 56.072 0.000 . 1 . . . . . 7 Leu CA . 27713 1
11 . 1 1 7 7 LEU CB C 13 41.872 0.000 . 1 . . . . . 7 Leu CB . 27713 1
12 . 1 1 7 7 LEU N N 15 112.691 0.000 . 1 . . . . . 7 Leu N . 27713 1
13 . 1 1 8 8 LEU H H 1 8.103 0.000 . 1 . . . . . 8 Leu H . 27713 1
14 . 1 1 8 8 LEU CA C 13 55.882 0.000 . 1 . . . . . 8 Leu CA . 27713 1
15 . 1 1 8 8 LEU CB C 13 41.868 0.000 . 1 . . . . . 8 Leu CB . 27713 1
16 . 1 1 8 8 LEU N N 15 121.615 0.000 . 1 . . . . . 8 Leu N . 27713 1
17 . 1 1 9 9 LEU H H 1 8.042 0.000 . 1 . . . . . 9 Leu H . 27713 1
18 . 1 1 9 9 LEU CA C 13 55.840 0.000 . 1 . . . . . 9 Leu CA . 27713 1
19 . 1 1 9 9 LEU CB C 13 41.914 0.000 . 1 . . . . . 9 Leu CB . 27713 1
20 . 1 1 9 9 LEU N N 15 121.908 0.000 . 1 . . . . . 9 Leu N . 27713 1
21 . 1 1 10 10 LEU H H 1 8.112 0.000 . 1 . . . . . 10 Leu H . 27713 1
22 . 1 1 10 10 LEU CA C 13 55.878 0.000 . 1 . . . . . 10 Leu CA . 27713 1
23 . 1 1 10 10 LEU CB C 13 42.059 0.000 . 1 . . . . . 10 Leu CB . 27713 1
24 . 1 1 10 10 LEU N N 15 121.852 0.000 . 1 . . . . . 10 Leu N . 27713 1
25 . 1 1 11 11 GLN H H 1 8.331 0.000 . 1 . . . . . 11 Gln H . 27713 1
26 . 1 1 11 11 GLN CA C 13 56.524 0.000 . 1 . . . . . 11 Gln CA . 27713 1
27 . 1 1 11 11 GLN CB C 13 28.974 0.000 . 1 . . . . . 11 Gln CB . 27713 1
28 . 1 1 11 11 GLN N N 15 120.067 0.000 . 1 . . . . . 11 Gln N . 27713 1
29 . 1 1 12 12 GLN H H 1 8.375 0.000 . 1 . . . . . 12 Gln H . 27713 1
30 . 1 1 12 12 GLN CA C 13 56.299 0.000 . 1 . . . . . 12 Gln CA . 27713 1
31 . 1 1 12 12 GLN CB C 13 29.193 0.000 . 1 . . . . . 12 Gln CB . 27713 1
32 . 1 1 12 12 GLN N N 15 120.683 0.000 . 1 . . . . . 12 Gln N . 27713 1
33 . 1 1 13 13 GLN H H 1 8.417 0.000 . 1 . . . . . 13 Gln H . 27713 1
34 . 1 1 13 13 GLN CA C 13 56.070 0.000 . 1 . . . . . 13 Gln CA . 27713 1
35 . 1 1 13 13 GLN CB C 13 29.383 0.000 . 1 . . . . . 13 Gln CB . 27713 1
36 . 1 1 13 13 GLN N N 15 120.868 0.000 . 1 . . . . . 13 Gln N . 27713 1
37 . 1 1 14 14 GLN H H 1 8.429 0.000 . 1 . . . . . 14 Gln H . 27713 1
38 . 1 1 14 14 GLN CA C 13 55.850 0.000 . 1 . . . . . 14 Gln CA . 27713 1
39 . 1 1 14 14 GLN CB C 13 29.394 0.000 . 1 . . . . . 14 Gln CB . 27713 1
40 . 1 1 14 14 GLN N N 15 121.600 0.000 . 1 . . . . . 14 Gln N . 27713 1
41 . 1 1 15 15 LYS H H 1 8.452 0.000 . 1 . . . . . 15 Lys H . 27713 1
42 . 1 1 15 15 LYS N N 15 112.031 0.000 . 1 . . . . . 15 Lys N . 27713 1
43 . 1 1 16 16 LYS H H 1 8.186 0.000 . 1 . . . . . 16 Lys H . 27713 1
44 . 1 1 16 16 LYS N N 15 117.061 0.000 . 1 . . . . . 16 Lys N . 27713 1
stop_
save_