###################################
# 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 34273
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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' . . . 34273 1
2 '2D 1H-1H NOESY' . . . 34273 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 PHE HA H 1 4.476 0.020 . . . . . . A 1 PHE HA . 34273 1
2 . 1 . 1 1 1 PHE HB2 H 1 3.231 0.020 . . . . . . A 1 PHE HB2 . 34273 1
3 . 1 . 1 1 1 PHE HB3 H 1 3.231 0.020 . . . . . . A 1 PHE HB3 . 34273 1
4 . 1 . 1 2 2 LEU H H 1 7.671 0.020 . . . . . . A 2 LEU H . 34273 1
5 . 1 . 1 2 2 LEU HA H 1 4.566 0.020 . . . . . . A 2 LEU HA . 34273 1
6 . 1 . 1 2 2 LEU HB2 H 1 1.645 0.020 . . . . . . A 2 LEU HB2 . 34273 1
7 . 1 . 1 2 2 LEU HB3 H 1 1.645 0.020 . . . . . . A 2 LEU HB3 . 34273 1
8 . 1 . 1 2 2 LEU HG H 1 1.545 0.020 . . . . . . A 2 LEU HG . 34273 1
9 . 1 . 1 3 3 PRO HA H 1 4.572 0.020 . . . . . . A 3 PRO HA . 34273 1
10 . 1 . 1 3 3 PRO HB2 H 1 2.270 0.020 . . . . . . A 3 PRO HB2 . 34273 1
11 . 1 . 1 3 3 PRO HB3 H 1 2.202 0.020 . . . . . . A 3 PRO HB3 . 34273 1
12 . 1 . 1 3 3 PRO HG2 H 1 2.105 0.020 . . . . . . A 3 PRO HG2 . 34273 1
13 . 1 . 1 3 3 PRO HG3 H 1 2.105 0.020 . . . . . . A 3 PRO HG3 . 34273 1
14 . 1 . 1 3 3 PRO HD2 H 1 3.832 0.020 . . . . . . A 3 PRO HD2 . 34273 1
15 . 1 . 1 3 3 PRO HD3 H 1 3.832 0.020 . . . . . . A 3 PRO HD3 . 34273 1
16 . 1 . 1 4 4 ILE H H 1 8.287 0.020 . . . . . . A 4 ILE H . 34273 1
17 . 1 . 1 4 4 ILE HA H 1 3.996 0.020 . . . . . . A 4 ILE HA . 34273 1
18 . 1 . 1 4 4 ILE HB H 1 2.065 0.020 . . . . . . A 4 ILE HB . 34273 1
19 . 1 . 1 4 4 ILE HG12 H 1 1.549 0.020 . . . . . . A 4 ILE HG12 . 34273 1
20 . 1 . 1 4 4 ILE HG13 H 1 1.344 0.020 . . . . . . A 4 ILE HG13 . 34273 1
21 . 1 . 1 4 4 ILE HG21 H 1 0.942 0.020 . . . . . . A 4 ILE HG21 . 34273 1
22 . 1 . 1 4 4 ILE HG22 H 1 0.942 0.020 . . . . . . A 4 ILE HG22 . 34273 1
23 . 1 . 1 4 4 ILE HG23 H 1 0.942 0.020 . . . . . . A 4 ILE HG23 . 34273 1
24 . 1 . 1 5 5 VAL H H 1 7.803 0.020 . . . . . . A 5 VAL H . 34273 1
25 . 1 . 1 5 5 VAL HA H 1 3.564 0.020 . . . . . . A 5 VAL HA . 34273 1
26 . 1 . 1 5 5 VAL HB H 1 2.241 0.020 . . . . . . A 5 VAL HB . 34273 1
27 . 1 . 1 5 5 VAL HG11 H 1 1.086 0.020 . . . . . . A 5 VAL HG11 . 34273 1
28 . 1 . 1 5 5 VAL HG12 H 1 1.086 0.020 . . . . . . A 5 VAL HG12 . 34273 1
29 . 1 . 1 5 5 VAL HG13 H 1 1.086 0.020 . . . . . . A 5 VAL HG13 . 34273 1
30 . 1 . 1 5 5 VAL HG21 H 1 0.935 0.020 . . . . . . A 5 VAL HG21 . 34273 1
31 . 1 . 1 5 5 VAL HG22 H 1 0.935 0.020 . . . . . . A 5 VAL HG22 . 34273 1
32 . 1 . 1 5 5 VAL HG23 H 1 0.935 0.020 . . . . . . A 5 VAL HG23 . 34273 1
33 . 1 . 1 6 6 GLY H H 1 7.936 0.020 . . . . . . A 6 GLY H . 34273 1
34 . 1 . 1 6 6 GLY HA3 H 1 3.955 0.020 . . . . . . A 6 GLY HA3 . 34273 1
35 . 1 . 1 7 7 LEU H H 1 7.767 0.020 . . . . . . A 7 LEU H . 34273 1
36 . 1 . 1 7 7 LEU HA H 1 4.211 0.020 . . . . . . A 7 LEU HA . 34273 1
37 . 1 . 1 7 7 LEU HB2 H 1 1.811 0.020 . . . . . . A 7 LEU HB2 . 34273 1
38 . 1 . 1 7 7 LEU HB3 H 1 1.811 0.020 . . . . . . A 7 LEU HB3 . 34273 1
39 . 1 . 1 7 7 LEU HG H 1 1.614 0.020 . . . . . . A 7 LEU HG . 34273 1
40 . 1 . 1 7 7 LEU HD11 H 1 0.930 0.020 . . . . . . A 7 LEU HD11 . 34273 1
41 . 1 . 1 7 7 LEU HD12 H 1 0.930 0.020 . . . . . . A 7 LEU HD12 . 34273 1
42 . 1 . 1 7 7 LEU HD13 H 1 0.930 0.020 . . . . . . A 7 LEU HD13 . 34273 1
43 . 1 . 1 7 7 LEU HD21 H 1 0.930 0.020 . . . . . . A 7 LEU HD21 . 34273 1
44 . 1 . 1 7 7 LEU HD22 H 1 0.930 0.020 . . . . . . A 7 LEU HD22 . 34273 1
45 . 1 . 1 7 7 LEU HD23 H 1 0.930 0.020 . . . . . . A 7 LEU HD23 . 34273 1
46 . 1 . 1 8 8 LEU H H 1 8.264 0.020 . . . . . . A 8 LEU H . 34273 1
47 . 1 . 1 8 8 LEU HA H 1 4.013 0.020 . . . . . . A 8 LEU HA . 34273 1
48 . 1 . 1 8 8 LEU HB2 H 1 1.939 0.020 . . . . . . A 8 LEU HB2 . 34273 1
49 . 1 . 1 8 8 LEU HB3 H 1 1.939 0.020 . . . . . . A 8 LEU HB3 . 34273 1
50 . 1 . 1 8 8 LEU HG H 1 1.531 0.020 . . . . . . A 8 LEU HG . 34273 1
51 . 1 . 1 9 9 LYS H H 1 8.460 0.020 . . . . . . A 9 LYS H . 34273 1
52 . 1 . 1 9 9 LYS HA H 1 3.865 0.020 . . . . . . A 9 LYS HA . 34273 1
53 . 1 . 1 9 9 LYS HB2 H 1 1.896 0.020 . . . . . . A 9 LYS HB2 . 34273 1
54 . 1 . 1 9 9 LYS HB3 H 1 1.896 0.020 . . . . . . A 9 LYS HB3 . 34273 1
55 . 1 . 1 9 9 LYS HG2 H 1 1.407 0.020 . . . . . . A 9 LYS HG2 . 34273 1
56 . 1 . 1 9 9 LYS HG3 H 1 1.407 0.020 . . . . . . A 9 LYS HG3 . 34273 1
57 . 1 . 1 9 9 LYS HD2 H 1 1.661 0.020 . . . . . . A 9 LYS HD2 . 34273 1
58 . 1 . 1 9 9 LYS HD3 H 1 1.661 0.020 . . . . . . A 9 LYS HD3 . 34273 1
59 . 1 . 1 9 9 LYS HE2 H 1 2.914 0.020 . . . . . . A 9 LYS HE2 . 34273 1
60 . 1 . 1 9 9 LYS HE3 H 1 2.914 0.020 . . . . . . A 9 LYS HE3 . 34273 1
61 . 1 . 1 9 9 LYS HZ1 H 1 7.474 0.020 . . . . . . A 9 LYS HZ1 . 34273 1
62 . 1 . 1 9 9 LYS HZ2 H 1 7.474 0.020 . . . . . . A 9 LYS HZ2 . 34273 1
63 . 1 . 1 9 9 LYS HZ3 H 1 7.474 0.020 . . . . . . A 9 LYS HZ3 . 34273 1
64 . 1 . 1 10 10 SER H H 1 7.783 0.020 . . . . . . A 10 SER H . 34273 1
65 . 1 . 1 10 10 SER HA H 1 4.232 0.020 . . . . . . A 10 SER HA . 34273 1
66 . 1 . 1 10 10 SER HB2 H 1 4.053 0.020 . . . . . . A 10 SER HB2 . 34273 1
67 . 1 . 1 10 10 SER HB3 H 1 4.053 0.020 . . . . . . A 10 SER HB3 . 34273 1
68 . 1 . 1 11 11 LEU HA H 1 4.022 0.020 . . . . . . A 11 LEU HA . 34273 1
69 . 1 . 1 11 11 LEU HD11 H 1 0.868 0.020 . . . . . . A 11 LEU HD11 . 34273 1
70 . 1 . 1 11 11 LEU HD12 H 1 0.868 0.020 . . . . . . A 11 LEU HD12 . 34273 1
71 . 1 . 1 11 11 LEU HD13 H 1 0.868 0.020 . . . . . . A 11 LEU HD13 . 34273 1
72 . 1 . 1 11 11 LEU HD21 H 1 0.868 0.020 . . . . . . A 11 LEU HD21 . 34273 1
73 . 1 . 1 11 11 LEU HD22 H 1 0.868 0.020 . . . . . . A 11 LEU HD22 . 34273 1
74 . 1 . 1 11 11 LEU HD23 H 1 0.868 0.020 . . . . . . A 11 LEU HD23 . 34273 1
75 . 1 . 1 12 12 LEU HA H 1 4.244 0.020 . . . . . . A 12 LEU HA . 34273 1
76 . 1 . 1 12 12 LEU HB2 H 1 1.930 0.020 . . . . . . A 12 LEU HB2 . 34273 1
77 . 1 . 1 12 12 LEU HB3 H 1 1.930 0.020 . . . . . . A 12 LEU HB3 . 34273 1
78 . 1 . 1 13 13 LYS H H 1 7.874 0.020 . . . . . . A 13 LYS H . 34273 1
79 . 1 . 1 13 13 LYS HA H 1 4.233 0.020 . . . . . . A 13 LYS HA . 34273 1
80 . 1 . 1 13 13 LYS HB2 H 1 1.887 0.020 . . . . . . A 13 LYS HB2 . 34273 1
81 . 1 . 1 13 13 LYS HB3 H 1 1.887 0.020 . . . . . . A 13 LYS HB3 . 34273 1
82 . 1 . 1 13 13 LYS HG2 H 1 1.569 0.020 . . . . . . A 13 LYS HG2 . 34273 1
83 . 1 . 1 13 13 LYS HG3 H 1 1.487 0.020 . . . . . . A 13 LYS HG3 . 34273 1
84 . 1 . 1 13 13 LYS HD2 H 1 1.701 0.020 . . . . . . A 13 LYS HD2 . 34273 1
85 . 1 . 1 13 13 LYS HD3 H 1 1.701 0.020 . . . . . . A 13 LYS HD3 . 34273 1
86 . 1 . 1 13 13 LYS HE2 H 1 3.027 0.020 . . . . . . A 13 LYS HE2 . 34273 1
87 . 1 . 1 13 13 LYS HE3 H 1 3.027 0.020 . . . . . . A 13 LYS HE3 . 34273 1
stop_
save_