###################################
# 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 30357
_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 TOCSY' . . . 30357 1
2 '2D 1H-1H NOESY' . . . 30357 1
3 '2D 1H-15N HSQC' . . . 30357 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 DAR H H 1 7.875 0.01 . . . . . . A 1 DAR H1 . 30357 1
2 . 1 1 1 1 DAR N N 15 120.912 0.00 . . . . . . A 1 DAR N . 30357 1
3 . 1 1 1 1 DAR HA H 1 4.214 0.00 . . . . . . A 1 DAR HA . 30357 1
4 . 1 1 1 1 DAR HB3 H 1 1.766 0.00 . . . . . . A 1 DAR HB3 . 30357 1
5 . 1 1 1 1 DAR HD3 H 1 3.096 0.00 . . . . . . A 1 DAR HD3 . 30357 1
6 . 1 1 1 1 DAR HE H 1 7.104 0.00 . . . . . . A 1 DAR HE . 30357 1
7 . 1 1 1 1 DAR HG2 H 1 1.647 0.00 . . . . . . A 1 DAR HG2 . 30357 1
8 . 1 1 1 1 DAR HG3 H 1 1.503 0.00 . . . . . . A 1 DAR HG3 . 30357 1
9 . 1 1 2 2 GLN H H 1 8.236 0.01 . . . . . . A 2 GLN H . 30357 1
10 . 1 1 2 2 GLN HA H 1 4.373 0.00 . . . . . . A 2 GLN HA . 30357 1
11 . 1 1 2 2 GLN HB2 H 1 1.733 0.00 . . . . . . A 2 GLN HB2 . 30357 1
12 . 1 1 2 2 GLN HB3 H 1 1.733 0.00 . . . . . . A 2 GLN HB3 . 30357 1
13 . 1 1 2 2 GLN HG2 H 1 2.031 0.00 . . . . . . A 2 GLN HG2 . 30357 1
14 . 1 1 2 2 GLN HG3 H 1 2.226 0.00 . . . . . . A 2 GLN HG3 . 30357 1
15 . 1 1 2 2 GLN HE21 H 1 7.524 0.01 . . . . . . A 2 GLN HE21 . 30357 1
16 . 1 1 2 2 GLN HE22 H 1 6.858 0.01 . . . . . . A 2 GLN HE22 . 30357 1
17 . 1 1 2 2 GLN N N 15 118.985 0.00 . . . . . . A 2 GLN N . 30357 1
18 . 1 1 2 2 GLN NE2 N 15 111.918 0.00 . . . . . . A 2 GLN NE2 . 30357 1
19 . 1 1 3 3 DPR HA H 1 4.227 0.00 . . . . . . A 3 DPR HA . 30357 1
20 . 1 1 3 3 DPR HB2 H 1 1.807 0.00 . . . . . . A 3 DPR HB2 . 30357 1
21 . 1 1 3 3 DPR HB3 H 1 2.278 0.00 . . . . . . A 3 DPR HB3 . 30357 1
22 . 1 1 3 3 DPR HD3 H 1 3.645 0.00 . . . . . . A 3 DPR HD3 . 30357 1
23 . 1 1 3 3 DPR HG3 H 1 1.939 0.00 . . . . . . A 3 DPR HG3 . 30357 1
24 . 1 1 4 4 DGN H H 1 8.157 0.01 . . . . . . A 4 DGN H . 30357 1
25 . 1 1 4 4 DGN N N 15 115.465 0.00 . . . . . . A 4 DGN N . 30357 1
26 . 1 1 4 4 DGN HA H 1 4.168 0.00 . . . . . . A 4 DGN HA . 30357 1
27 . 1 1 4 4 DGN HB3 H 1 1.940 0.00 . . . . . . A 4 DGN HB3 . 30357 1
28 . 1 1 4 4 DGN HE21 H 1 7.559 0.01 . . . . . . A 4 DGN HE21 . 30357 1
29 . 1 1 4 4 DGN HE22 H 1 6.844 0.01 . . . . . . A 4 DGN HE22 . 30357 1
30 . 1 1 4 4 DGN HG2 H 1 2.056 0.00 . . . . . . A 4 DGN HG2 . 30357 1
31 . 1 1 4 4 DGN HG3 H 1 2.286 0.00 . . . . . . A 4 DGN HG3 . 30357 1
32 . 1 1 4 4 DGN NE2 N 15 112.342 0.01 . . . . . . A 4 DGN NE2 . 30357 1
33 . 1 1 5 5 ARG H H 1 7.839 0.01 . . . . . . A 5 ARG H . 30357 1
34 . 1 1 5 5 ARG HA H 1 4.178 0.00 . . . . . . A 5 ARG HA . 30357 1
35 . 1 1 5 5 ARG HB2 H 1 1.742 0.00 . . . . . . A 5 ARG HB2 . 30357 1
36 . 1 1 5 5 ARG HB3 H 1 1.742 0.00 . . . . . . A 5 ARG HB3 . 30357 1
37 . 1 1 5 5 ARG HG2 H 1 1.677 0.00 . . . . . . A 5 ARG HG2 . 30357 1
38 . 1 1 5 5 ARG HG3 H 1 1.513 0.00 . . . . . . A 5 ARG HG3 . 30357 1
39 . 1 1 5 5 ARG HD2 H 1 3.096 0.00 . . . . . . A 5 ARG HD2 . 30357 1
40 . 1 1 5 5 ARG HD3 H 1 3.096 0.00 . . . . . . A 5 ARG HD3 . 30357 1
41 . 1 1 5 5 ARG HE H 1 7.127 0.00 . . . . . . A 5 ARG HE . 30357 1
42 . 1 1 5 5 ARG N N 15 120.528 0.00 . . . . . . A 5 ARG N . 30357 1
43 . 1 1 6 6 DGL H H 1 8.055 0.01 . . . . . . A 6 DGL H . 30357 1
44 . 1 1 6 6 DGL N N 15 117.960 0.00 . . . . . . A 6 DGL N . 30357 1
45 . 1 1 6 6 DGL HA H 1 4.511 0.00 . . . . . . A 6 DGL HA . 30357 1
46 . 1 1 6 6 DGL HB3 H 1 1.732 0.00 . . . . . . A 6 DGL HB3 . 30357 1
47 . 1 1 6 6 DGL HG2 H 1 2.050 0.00 . . . . . . A 6 DGL HG2 . 30357 1
48 . 1 1 6 6 DGL HG3 H 1 2.310 0.00 . . . . . . A 6 DGL HG3 . 30357 1
49 . 1 1 7 7 PRO HA H 1 4.200 0.00 . . . . . . A 7 PRO HA . 30357 1
50 . 1 1 7 7 PRO HB2 H 1 1.839 0.00 . . . . . . A 7 PRO HB2 . 30357 1
51 . 1 1 7 7 PRO HB3 H 1 2.280 0.00 . . . . . . A 7 PRO HB3 . 30357 1
52 . 1 1 7 7 PRO HG2 H 1 1.939 0.00 . . . . . . A 7 PRO HG2 . 30357 1
53 . 1 1 7 7 PRO HG3 H 1 1.939 0.00 . . . . . . A 7 PRO HG3 . 30357 1
54 . 1 1 7 7 PRO HD2 H 1 3.674 0.00 . . . . . . A 7 PRO HD2 . 30357 1
55 . 1 1 7 7 PRO HD3 H 1 3.674 0.00 . . . . . . A 7 PRO HD3 . 30357 1
56 . 1 1 8 8 GLN H H 1 8.403 0.01 . . . . . . A 8 GLN H . 30357 1
57 . 1 1 8 8 GLN HA H 1 4.175 0.00 . . . . . . A 8 GLN HA . 30357 1
58 . 1 1 8 8 GLN HB2 H 1 1.941 0.00 . . . . . . A 8 GLN HB2 . 30357 1
59 . 1 1 8 8 GLN HB3 H 1 2.041 0.00 . . . . . . A 8 GLN HB3 . 30357 1
60 . 1 1 8 8 GLN HG2 H 1 2.180 0.00 . . . . . . A 8 GLN HG2 . 30357 1
61 . 1 1 8 8 GLN HG3 H 1 2.295 0.00 . . . . . . A 8 GLN HG3 . 30357 1
62 . 1 1 8 8 GLN HE21 H 1 7.593 0.01 . . . . . . A 8 GLN HE21 . 30357 1
63 . 1 1 8 8 GLN HE22 H 1 6.833 0.00 . . . . . . A 8 GLN HE22 . 30357 1
64 . 1 1 8 8 GLN N N 15 115.919 0.00 . . . . . . A 8 GLN N . 30357 1
65 . 1 1 8 8 GLN NE2 N 15 112.382 0.00 . . . . . . A 8 GLN NE2 . 30357 1
stop_
save_