###################################
# 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 15195
_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 NOESY' . . . 15195 1
2 '2D TOCSY' . . . 15195 1
3 DQF-COSY . . . 15195 1
4 '2D NOESY' . . . 15195 1
5 '2D TOCSY' . . . 15195 1
6 DQF-COSY . . . 15195 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 H H 1 8.793 0.000 . . . . . . 1 VAL H . 15195 1
2 . 1 1 1 1 VAL HA H 1 3.876 0.000 . . . . . . 1 VAL HA . 15195 1
3 . 1 1 1 1 VAL HB H 1 2.248 0.001 . . . . . . 1 VAL HB . 15195 1
4 . 1 1 1 1 VAL HG11 H 1 1.030 0.000 . . . . . . 1 VAL HG1 . 15195 1
5 . 1 1 1 1 VAL HG12 H 1 1.030 0.000 . . . . . . 1 VAL HG1 . 15195 1
6 . 1 1 1 1 VAL HG13 H 1 1.030 0.000 . . . . . . 1 VAL HG1 . 15195 1
7 . 1 1 1 1 VAL HG21 H 1 1.060 0.001 . . . . . . 1 VAL HG2 . 15195 1
8 . 1 1 1 1 VAL HG22 H 1 1.060 0.001 . . . . . . 1 VAL HG2 . 15195 1
9 . 1 1 1 1 VAL HG23 H 1 1.060 0.001 . . . . . . 1 VAL HG2 . 15195 1
10 . 1 1 2 2 CYS H H 1 8.793 0.008 . . . . . . 2 CYS H . 15195 1
11 . 1 1 2 2 CYS HA H 1 4.911 0.002 . . . . . . 2 CYS HA . 15195 1
12 . 1 1 2 2 CYS HB2 H 1 2.717 0.000 . . . . . . 2 CYS HB2 . 15195 1
13 . 1 1 2 2 CYS HB3 H 1 2.506 0.006 . . . . . . 2 CYS HB3 . 15195 1
14 . 1 1 3 3 CYS H H 1 8.497 0.003 . . . . . . 3 CYS H . 15195 1
15 . 1 1 3 3 CYS HA H 1 4.489 0.002 . . . . . . 3 CYS HA . 15195 1
16 . 1 1 3 3 CYS HB2 H 1 3.708 0.000 . . . . . . 3 CYS HB2 . 15195 1
17 . 1 1 3 3 CYS HB3 H 1 3.460 0.000 . . . . . . 3 CYS HB3 . 15195 1
18 . 1 1 4 4 PRO HA H 1 4.595 0.001 . . . . . . 4 PRO HA . 15195 1
19 . 1 1 4 4 PRO HB2 H 1 2.305 0.001 . . . . . . 4 PRO HB2 . 15195 1
20 . 1 1 4 4 PRO HB3 H 1 2.029 0.000 . . . . . . 4 PRO HB3 . 15195 1
21 . 1 1 4 4 PRO HG2 H 1 2.11 0.001 . . . . . . 4 PRO HG2 . 15195 1
22 . 1 1 4 4 PRO HG3 H 1 1.81 0.002 . . . . . . 4 PRO HG3 . 15195 1
23 . 1 1 4 4 PRO HD2 H 1 3.610 0.000 . . . . . . 4 PRO HD2 . 15195 1
24 . 1 1 4 4 PRO HD3 H 1 3.766 0.000 . . . . . . 4 PRO HD3 . 15195 1
25 . 1 1 5 5 PHE H H 1 8.750 0.000 . . . . . . 5 PHE H . 15195 1
26 . 1 1 5 5 PHE HA H 1 4.200 0.001 . . . . . . 5 PHE HA . 15195 1
27 . 1 1 5 5 PHE HB2 H 1 2.974 0.001 . . . . . . 5 PHE HB2 . 15195 1
28 . 1 1 5 5 PHE HD1 H 1 7.262 0.002 . . . . . . 5 PHE HD1 . 15195 1
29 . 1 1 5 5 PHE HE1 H 1 7.310 0.000 . . . . . . 5 PHE HE1 . 15195 1
30 . 1 1 5 5 PHE HZ H 1 7.540 0.000 . . . . . . 5 PHE HZ . 15195 1
31 . 1 1 6 6 GLY H H 1 8.651 0.001 . . . . . . 6 GLY H . 15195 1
32 . 1 1 6 6 GLY HA2 H 1 3.534 0.001 . . . . . . 6 GLY HA2 . 15195 1
33 . 1 1 6 6 GLY HA3 H 1 4.020 0.000 . . . . . . 6 GLY HA3 . 15195 1
34 . 1 1 7 7 GLY H H 1 8.182 0.001 . . . . . . 7 GLY H . 15195 1
35 . 1 1 7 7 GLY HA2 H 1 3.294 0.007 . . . . . . 7 GLY HA2 . 15195 1
36 . 1 1 7 7 GLY HA3 H 1 4.564 0.003 . . . . . . 7 GLY HA3 . 15195 1
37 . 1 1 8 8 CYS H H 1 8.422 0.002 . . . . . . 8 CYS H . 15195 1
38 . 1 1 8 8 CYS HA H 1 4.702 0.001 . . . . . . 8 CYS HA . 15195 1
39 . 1 1 8 8 CYS HB2 H 1 3.046 0.000 . . . . . . 8 CYS HB2 . 15195 1
40 . 1 1 9 9 HIS H H 1 7.297 0.001 . . . . . . 9 HIS H . 15195 1
41 . 1 1 9 9 HIS HA H 1 4.890 0.002 . . . . . . 9 HIS HA . 15195 1
42 . 1 1 9 9 HIS HB2 H 1 3.516 0.001 . . . . . . 9 HIS HB2 . 15195 1
43 . 1 1 9 9 HIS HB3 H 1 3.253 0.001 . . . . . . 9 HIS HB3 . 15195 1
44 . 1 1 9 9 HIS HD2 H 1 7.290 0.003 . . . . . . 9 HIS HD2 . 15195 1
45 . 1 1 9 9 HIS HE1 H 1 7.540 0.000 . . . . . . 9 HIS HE1 . 15195 1
46 . 1 1 10 10 GLU H H 1 8.916 0.001 . . . . . . 10 GLU H . 15195 1
47 . 1 1 10 10 GLU HA H 1 4.140 0.005 . . . . . . 10 GLU HA . 15195 1
48 . 1 1 10 10 GLU HB2 H 1 2.543 0.006 . . . . . . 10 GLU HB2 . 15195 1
49 . 1 1 10 10 GLU HG2 H 1 2.124 0.003 . . . . . . 10 GLU HG2 . 15195 1
50 . 1 1 11 11 LEU H H 1 8.446 0.000 . . . . . . 11 LEU H . 15195 1
51 . 1 1 11 11 LEU HA H 1 4.082 0.005 . . . . . . 11 LEU HA . 15195 1
52 . 1 1 11 11 LEU HB2 H 1 1.995 0.000 . . . . . . 11 LEU HB2 . 15195 1
53 . 1 1 11 11 LEU HB3 H 1 1.707 0.000 . . . . . . 11 LEU HB3 . 15195 1
54 . 1 1 11 11 LEU HG H 1 1.598 0.001 . . . . . . 11 LEU HG . 15195 1
55 . 1 1 11 11 LEU HD11 H 1 0.940 0.002 . . . . . . 11 LEU HD1 . 15195 1
56 . 1 1 11 11 LEU HD12 H 1 0.940 0.002 . . . . . . 11 LEU HD1 . 15195 1
57 . 1 1 11 11 LEU HD13 H 1 0.940 0.002 . . . . . . 11 LEU HD1 . 15195 1
58 . 1 1 11 11 LEU HD21 H 1 0.890 0.002 . . . . . . 11 LEU HD2 . 15195 1
59 . 1 1 11 11 LEU HD22 H 1 0.890 0.002 . . . . . . 11 LEU HD2 . 15195 1
60 . 1 1 11 11 LEU HD23 H 1 0.890 0.002 . . . . . . 11 LEU HD2 . 15195 1
61 . 1 1 12 12 CYS H H 1 7.570 0.001 . . . . . . 12 CYS H . 15195 1
62 . 1 1 12 12 CYS HA H 1 4.452 0.001 . . . . . . 12 CYS HA . 15195 1
63 . 1 1 12 12 CYS HB2 H 1 3.221 0.000 . . . . . . 12 CYS HB2 . 15195 1
64 . 1 1 12 12 CYS HB3 H 1 3.172 0.000 . . . . . . 12 CYS HB3 . 15195 1
65 . 1 1 13 13 TYR H H 1 9.083 0.001 . . . . . . 13 TYR H . 15195 1
66 . 1 1 13 13 TYR HA H 1 4.324 0.001 . . . . . . 13 TYR HA . 15195 1
67 . 1 1 13 13 TYR HB2 H 1 3.228 0.006 . . . . . . 13 TYR HB2 . 15195 1
68 . 1 1 13 13 TYR HB3 H 1 3.037 0.000 . . . . . . 13 TYR HB3 . 15195 1
69 . 1 1 13 13 TYR HD1 H 1 7.168 0.002 . . . . . . 13 TYR HD1 . 15195 1
70 . 1 1 13 13 TYR HE1 H 1 6.874 0.000 . . . . . . 13 TYR HE1 . 15195 1
71 . 1 1 14 14 CYS H H 1 7.959 0.001 . . . . . . 14 CYS H . 15195 1
72 . 1 1 14 14 CYS HA H 1 4.640 0.001 . . . . . . 14 CYS HA . 15195 1
73 . 1 1 14 14 CYS HB2 H 1 3.782 0.001 . . . . . . 14 CYS HB2 . 15195 1
74 . 1 1 14 14 CYS HB3 H 1 3.163 0.005 . . . . . . 14 CYS HB3 . 15195 1
75 . 1 1 15 15 CYS H H 1 9.434 0.004 . . . . . . 15 CYS H . 15195 1
76 . 1 1 15 15 CYS HA H 1 5.069 0.002 . . . . . . 15 CYS HA . 15195 1
77 . 1 1 15 15 CYS HB2 H 1 3.414 0.000 . . . . . . 15 CYS HB2 . 15195 1
78 . 1 1 15 15 CYS HB3 H 1 3.017 0.000 . . . . . . 15 CYS HB3 . 15195 1
79 . 1 1 16 16 ASP H H 1 8.761 0.000 . . . . . . 16 ASP H . 15195 1
80 . 1 1 16 16 ASP HA H 1 4.479 0.002 . . . . . . 16 ASP HA . 15195 1
81 . 1 1 16 16 ASP HB2 H 1 2.692 0.001 . . . . . . 16 ASP HB2 . 15195 1
82 . 1 1 16 16 ASP HB3 H 1 2.519 0.006 . . . . . . 16 ASP HB3 . 15195 1
stop_
save_