###################################
# 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 36038
_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 homonuclear TOCSY' 1 $sample_1 isotropic 36038 1
2 '2D trNOESY' 1 $sample_1 isotropic 36038 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 1 1 VAL HB H 1 2.028 0.007 . 1 . . . A 1 VAL HB . 36038 1
2 . 1 1 1 1 VAL HG11 H 1 0.928 0.024 . 1 . . . A 1 VAL HG11 . 36038 1
3 . 1 1 1 1 VAL HG12 H 1 0.928 0.024 . 1 . . . A 1 VAL HG12 . 36038 1
4 . 1 1 1 1 VAL HG13 H 1 0.928 0.024 . 1 . . . A 1 VAL HG13 . 36038 1
5 . 1 1 1 1 VAL HG21 H 1 0.928 0.024 . 1 . . . A 1 VAL HG21 . 36038 1
6 . 1 1 1 1 VAL HG22 H 1 0.928 0.024 . 1 . . . A 1 VAL HG22 . 36038 1
7 . 1 1 1 1 VAL HG23 H 1 0.928 0.024 . 1 . . . A 1 VAL HG23 . 36038 1
8 . 1 1 2 2 ALA H H 1 8.354 0.024 . 1 . . . A 2 ALA H . 36038 1
9 . 1 1 2 2 ALA HA H 1 4.268 0.001 . 1 . . . A 2 ALA HA . 36038 1
10 . 1 1 2 2 ALA HB1 H 1 1.335 0.007 . 1 . . . A 2 ALA HB1 . 36038 1
11 . 1 1 2 2 ALA HB2 H 1 1.335 0.007 . 1 . . . A 2 ALA HB2 . 36038 1
12 . 1 1 2 2 ALA HB3 H 1 1.335 0.007 . 1 . . . A 2 ALA HB3 . 36038 1
13 . 1 1 3 3 ARG H H 1 8.213 0.002 . 1 . . . A 3 ARG H . 36038 1
14 . 1 1 3 3 ARG HA H 1 4.256 0.09 . 1 . . . A 3 ARG HA . 36038 1
15 . 1 1 3 3 ARG HB2 H 1 1.711 0.004 . 1 . . . A 3 ARG HB2 . 36038 1
16 . 1 1 3 3 ARG HB3 H 1 1.711 0.004 . 1 . . . A 3 ARG HB3 . 36038 1
17 . 1 1 3 3 ARG HG2 H 1 1.579 0.001 . 1 . . . A 3 ARG HG2 . 36038 1
18 . 1 1 3 3 ARG HG3 H 1 1.579 0.001 . 1 . . . A 3 ARG HG3 . 36038 1
19 . 1 1 3 3 ARG HD2 H 1 3.138 0.006 . 1 . . . A 3 ARG HD2 . 36038 1
20 . 1 1 3 3 ARG HD3 H 1 3.138 0.006 . 1 . . . A 3 ARG HD3 . 36038 1
21 . 1 1 4 4 GLY H H 1 8.311 0.008 . 1 . . . A 4 GLY H . 36038 1
22 . 1 1 4 4 GLY HA2 H 1 3.857 0.018 . 1 . . . A 4 GLY HA2 . 36038 1
23 . 1 1 4 4 GLY HA3 H 1 3.857 0.018 . 1 . . . A 4 GLY HA3 . 36038 1
24 . 1 1 5 5 TRP H H 1 8.05 0.005 . 1 . . . A 5 TRP H . 36038 1
25 . 1 1 5 5 TRP HA H 1 4.666 0.002 . 1 . . . A 5 TRP HA . 36038 1
26 . 1 1 5 5 TRP HB2 H 1 3.326 0.002 . 1 . . . A 5 TRP HB2 . 36038 1
27 . 1 1 5 5 TRP HB3 H 1 3.335 0.002 . 1 . . . A 5 TRP HB3 . 36038 1
28 . 1 1 5 5 TRP HD1 H 1 7.223 0.09 . 1 . . . A 5 TRP HD1 . 36038 1
29 . 1 1 5 5 TRP HE3 H 1 7.584 0.001 . 1 . . . A 5 TRP HE3 . 36038 1
30 . 1 1 5 5 TRP HZ3 H 1 7.137 0.007 . 1 . . . A 5 TRP HZ3 . 36038 1
31 . 1 1 6 6 GLY HA2 H 1 3.832 0.003 . 1 . . . A 6 GLY HA2 . 36038 1
32 . 1 1 6 6 GLY HA3 H 1 3.832 0.003 . 1 . . . A 6 GLY HA3 . 36038 1
33 . 1 1 7 7 ARG H H 1 8.015 0.003 . 1 . . . A 7 ARG H . 36038 1
34 . 1 1 7 7 ARG HA H 1 4.277 0.004 . 1 . . . A 7 ARG HA . 36038 1
35 . 1 1 7 7 ARG HB2 H 1 1.81 0.002 . 1 . . . A 7 ARG HB2 . 36038 1
36 . 1 1 7 7 ARG HB3 H 1 1.703 0.003 . 1 . . . A 7 ARG HB3 . 36038 1
37 . 1 1 7 7 ARG HG2 H 1 1.587 0.001 . 1 . . . A 7 ARG HG2 . 36038 1
38 . 1 1 7 7 ARG HG3 H 1 1.587 0.001 . 1 . . . A 7 ARG HG3 . 36038 1
39 . 1 1 8 8 LYS H H 1 8.291 0.003 . 1 . . . A 8 LYS H . 36038 1
40 . 1 1 8 8 LYS HA H 1 4.341 0.002 . 1 . . . A 8 LYS HA . 36038 1
41 . 1 1 8 8 LYS HB2 H 1 1.758 0.001 . 1 . . . A 8 LYS HB2 . 36038 1
42 . 1 1 8 8 LYS HB3 H 1 1.758 0.001 . 1 . . . A 8 LYS HB3 . 36038 1
43 . 1 1 8 8 LYS HG2 H 1 1.647 0.004 . 1 . . . A 8 LYS HG2 . 36038 1
44 . 1 1 8 8 LYS HG3 H 1 1.647 0.004 . 1 . . . A 8 LYS HG3 . 36038 1
45 . 1 1 8 8 LYS HD2 H 1 1.394 0.001 . 1 . . . A 8 LYS HD2 . 36038 1
46 . 1 1 8 8 LYS HD3 H 1 1.394 0.001 . 1 . . . A 8 LYS HD3 . 36038 1
47 . 1 1 9 9 CYS H H 1 8.43 0.002 . 1 . . . A 9 CYS H . 36038 1
48 . 1 1 9 9 CYS HA H 1 4.94 0.003 . 1 . . . A 9 CYS HA . 36038 1
49 . 1 1 9 9 CYS HB2 H 1 3.21 0.002 . 1 . . . A 9 CYS HB2 . 36038 1
50 . 1 1 9 9 CYS HB3 H 1 2.881 0.001 . 1 . . . A 9 CYS HB3 . 36038 1
51 . 1 1 10 10 PRO HA H 1 4.35 0.001 . 1 . . . A 10 PRO HA . 36038 1
52 . 1 1 10 10 PRO HB2 H 1 2.182 0.002 . 1 . . . A 10 PRO HB2 . 36038 1
53 . 1 1 10 10 PRO HB3 H 1 2.182 0.002 . 1 . . . A 10 PRO HB3 . 36038 1
54 . 1 1 10 10 PRO HG2 H 1 1.926 0.003 . 1 . . . A 10 PRO HG2 . 36038 1
55 . 1 1 10 10 PRO HG3 H 1 1.926 0.003 . 1 . . . A 10 PRO HG3 . 36038 1
56 . 1 1 10 10 PRO HD2 H 1 3.621 0.001 . 1 . . . A 10 PRO HD2 . 36038 1
57 . 1 1 10 10 PRO HD3 H 1 3.621 0.001 . 1 . . . A 10 PRO HD3 . 36038 1
58 . 1 1 11 11 LEU H H 1 8.14 0.001 . 1 . . . A 11 LEU H . 36038 1
59 . 1 1 11 11 LEU HA H 1 4.217 0.002 . 1 . . . A 11 LEU HA . 36038 1
60 . 1 1 11 11 LEU HB2 H 1 1.502 0.001 . 1 . . . A 11 LEU HB2 . 36038 1
61 . 1 1 11 11 LEU HB3 H 1 1.502 0.001 . 1 . . . A 11 LEU HB3 . 36038 1
62 . 1 1 11 11 LEU HG H 1 1.407 0.002 . 1 . . . A 11 LEU HG . 36038 1
63 . 1 1 11 11 LEU HD11 H 1 0.923 0.001 . 1 . . . A 11 LEU HD11 . 36038 1
64 . 1 1 11 11 LEU HD12 H 1 0.923 0.001 . 1 . . . A 11 LEU HD12 . 36038 1
65 . 1 1 11 11 LEU HD13 H 1 0.923 0.001 . 1 . . . A 11 LEU HD13 . 36038 1
66 . 1 1 11 11 LEU HD21 H 1 0.923 0.001 . 1 . . . A 11 LEU HD21 . 36038 1
67 . 1 1 11 11 LEU HD22 H 1 0.923 0.001 . 1 . . . A 11 LEU HD22 . 36038 1
68 . 1 1 11 11 LEU HD23 H 1 0.923 0.001 . 1 . . . A 11 LEU HD23 . 36038 1
69 . 1 1 12 12 PHE H H 1 8.145 0.001 . 1 . . . A 12 PHE H . 36038 1
70 . 1 1 12 12 PHE HA H 1 4.589 0.001 . 1 . . . A 12 PHE HA . 36038 1
71 . 1 1 12 12 PHE HB2 H 1 3.125 0.001 . 1 . . . A 12 PHE HB2 . 36038 1
72 . 1 1 12 12 PHE HB3 H 1 2.992 0.001 . 1 . . . A 12 PHE HB3 . 36038 1
73 . 1 1 12 12 PHE HD1 H 1 7.22 0.001 . 1 . . . A 12 PHE HD1 . 36038 1
74 . 1 1 12 12 PHE HD2 H 1 7.22 0.001 . 1 . . . A 12 PHE HD2 . 36038 1
75 . 1 1 12 12 PHE HE1 H 1 7.334 0.001 . 1 . . . A 12 PHE HE1 . 36038 1
76 . 1 1 12 12 PHE HE2 H 1 7.334 0.001 . 1 . . . A 12 PHE HE2 . 36038 1
77 . 1 1 13 13 GLY HA2 H 1 3.819 0.001 . 1 . . . A 13 GLY HA2 . 36038 1
78 . 1 1 13 13 GLY HA3 H 1 3.819 0.001 . 1 . . . A 13 GLY HA3 . 36038 1
stop_
save_