###################################
# 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 25206
_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
2 '2D 1H-1H TOCSY' . . . 25206 1
3 '2D 1H-1H NOESY' . . . 25206 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 GLU HA H 1 4.140 0.02 . . . . . A 1 GLU HA . 25206 1
2 . 1 1 1 1 GLU HB2 H 1 1.990 0.02 . . . . . A 1 GLU HB2 . 25206 1
3 . 1 1 1 1 GLU HB3 H 1 1.990 0.02 . . . . . A 1 GLU HB3 . 25206 1
4 . 1 1 1 1 GLU HG2 H 1 2.370 0.02 . . . . . A 1 GLU HG2 . 25206 1
5 . 1 1 1 1 GLU HG3 H 1 2.370 0.02 . . . . . A 1 GLU HG3 . 25206 1
6 . 1 1 1 1 GLU H H 1 8.340 0.02 . . . . . A 1 GLU H1 . 25206 1
7 . 1 1 2 2 SER H H 1 8.360 0.02 . . . . . A 2 SER H . 25206 1
8 . 1 1 2 2 SER HA H 1 4.290 0.02 . . . . . A 2 SER HA . 25206 1
9 . 1 1 2 2 SER HB2 H 1 3.860 0.02 . . . . . A 2 SER HB2 . 25206 1
10 . 1 1 2 2 SER HB3 H 1 3.980 0.02 . . . . . A 2 SER HB3 . 25206 1
11 . 1 1 3 3 ALA H H 1 8.170 0.02 . . . . . A 3 ALA H . 25206 1
12 . 1 1 3 3 ALA HA H 1 4.070 0.02 . . . . . A 3 ALA HA . 25206 1
13 . 1 1 3 3 ALA HB1 H 1 1.350 0.02 . . . . . A 3 ALA HB1 . 25206 1
14 . 1 1 3 3 ALA HB2 H 1 1.350 0.02 . . . . . A 3 ALA HB2 . 25206 1
15 . 1 1 3 3 ALA HB3 H 1 1.350 0.02 . . . . . A 3 ALA HB3 . 25206 1
16 . 1 1 4 4 LYS H H 1 7.880 0.02 . . . . . A 4 LYS H . 25206 1
17 . 1 1 4 4 LYS HA H 1 3.990 0.02 . . . . . A 4 LYS HA . 25206 1
18 . 1 1 4 4 LYS HB2 H 1 1.720 0.02 . . . . . A 4 LYS HB2 . 25206 1
19 . 1 1 4 4 LYS HB3 H 1 1.720 0.02 . . . . . A 4 LYS HB3 . 25206 1
20 . 1 1 5 5 HIS H H 1 7.970 0.02 . . . . . A 5 HIS H . 25206 1
21 . 1 1 5 5 HIS HA H 1 4.500 0.02 . . . . . A 5 HIS HA . 25206 1
22 . 1 1 5 5 HIS HB2 H 1 3.290 0.02 . . . . . A 5 HIS HB2 . 25206 1
23 . 1 1 5 5 HIS HB3 H 1 3.200 0.02 . . . . . A 5 HIS HB3 . 25206 1
24 . 1 1 5 5 HIS HD2 H 1 7.270 0.02 . . . . . A 5 HIS HD2 . 25206 1
25 . 1 1 5 5 HIS HE1 H 1 7.980 0.02 . . . . . A 5 HIS HE1 . 25206 1
26 . 1 1 6 6 MET H H 1 8.020 0.02 . . . . . A 6 MET H . 25206 1
27 . 1 1 6 6 MET HA H 1 4.140 0.02 . . . . . A 6 MET HA . 25206 1
28 . 1 1 6 6 MET HB2 H 1 1.950 0.02 . . . . . A 6 MET HB2 . 25206 1
29 . 1 1 6 6 MET HB3 H 1 1.950 0.02 . . . . . A 6 MET HB3 . 25206 1
30 . 1 1 7 7 PHE H H 1 8.290 0.02 . . . . . A 7 PHE H . 25206 1
31 . 1 1 7 7 PHE HA H 1 4.350 0.02 . . . . . A 7 PHE HA . 25206 1
32 . 1 1 7 7 PHE HB2 H 1 3.020 0.02 . . . . . A 7 PHE HB2 . 25206 1
33 . 1 1 7 7 PHE HB3 H 1 3.200 0.02 . . . . . A 7 PHE HB3 . 25206 1
34 . 1 1 7 7 PHE HD1 H 1 6.960 0.02 . . . . . A 7 PHE HD1 . 25206 1
35 . 1 1 7 7 PHE HD2 H 1 6.960 0.02 . . . . . A 7 PHE HD2 . 25206 1
36 . 1 1 7 7 PHE HE1 H 1 7.170 0.02 . . . . . A 7 PHE HE1 . 25206 1
37 . 1 1 7 7 PHE HE2 H 1 7.170 0.02 . . . . . A 7 PHE HE2 . 25206 1
38 . 1 1 8 8 ASP H H 1 8.180 0.02 . . . . . A 8 ASP H . 25206 1
39 . 1 1 8 8 ASP HA H 1 4.400 0.02 . . . . . A 8 ASP HA . 25206 1
40 . 1 1 8 8 ASP HB2 H 1 2.810 0.02 . . . . . A 8 ASP HB2 . 25206 1
41 . 1 1 8 8 ASP HB3 H 1 2.670 0.02 . . . . . A 8 ASP HB3 . 25206 1
42 . 1 1 9 9 ARG H H 1 7.860 0.02 . . . . . A 9 ARG H . 25206 1
43 . 1 1 9 9 ARG HA H 1 4.070 0.02 . . . . . A 9 ARG HA . 25206 1
44 . 1 1 9 9 ARG HB2 H 1 1.810 0.02 . . . . . A 9 ARG HB2 . 25206 1
45 . 1 1 9 9 ARG HB3 H 1 1.810 0.02 . . . . . A 9 ARG HB3 . 25206 1
46 . 1 1 10 10 ILE H H 1 8.050 0.02 . . . . . A 10 ILE H . 25206 1
47 . 1 1 10 10 ILE HA H 1 3.900 0.02 . . . . . A 10 ILE HA . 25206 1
48 . 1 1 10 10 ILE HB H 1 1.850 0.02 . . . . . A 10 ILE HB . 25206 1
49 . 1 1 10 10 ILE HG21 H 1 0.840 0.02 . . . . . A 10 ILE HG21 . 25206 1
50 . 1 1 10 10 ILE HG22 H 1 0.840 0.02 . . . . . A 10 ILE HG22 . 25206 1
51 . 1 1 10 10 ILE HG23 H 1 0.840 0.02 . . . . . A 10 ILE HG23 . 25206 1
52 . 1 1 10 10 ILE HD11 H 1 0.760 0.02 . . . . . A 10 ILE HD11 . 25206 1
53 . 1 1 10 10 ILE HD12 H 1 0.760 0.02 . . . . . A 10 ILE HD12 . 25206 1
54 . 1 1 10 10 ILE HD13 H 1 0.760 0.02 . . . . . A 10 ILE HD13 . 25206 1
55 . 1 1 11 11 GLY H H 1 8.190 0.02 . . . . . A 11 GLY H . 25206 1
56 . 1 1 11 11 GLY HA2 H 1 3.710 0.02 . . . . . A 11 GLY HA2 . 25206 1
57 . 1 1 11 11 GLY HA3 H 1 3.830 0.02 . . . . . A 11 GLY HA3 . 25206 1
58 . 1 1 12 12 LYS H H 1 7.850 0.02 . . . . . A 12 LYS H . 25206 1
59 . 1 1 12 12 LYS HA H 1 4.060 0.02 . . . . . A 12 LYS HA . 25206 1
60 . 1 1 12 12 LYS HB2 H 1 1.850 0.02 . . . . . A 12 LYS HB2 . 25206 1
61 . 1 1 12 12 LYS HB3 H 1 1.850 0.02 . . . . . A 12 LYS HB3 . 25206 1
62 . 1 1 13 13 ASP H H 1 8.070 0.02 . . . . . A 13 ASP H . 25206 1
63 . 1 1 13 13 ASP HA H 1 4.470 0.02 . . . . . A 13 ASP HA . 25206 1
64 . 1 1 13 13 ASP HB2 H 1 2.860 0.02 . . . . . A 13 ASP HB2 . 25206 1
65 . 1 1 13 13 ASP HB3 H 1 2.730 0.02 . . . . . A 13 ASP HB3 . 25206 1
66 . 1 1 14 14 VAL H H 1 8.100 0.02 . . . . . A 14 VAL H . 25206 1
67 . 1 1 14 14 VAL HA H 1 3.630 0.02 . . . . . A 14 VAL HA . 25206 1
68 . 1 1 14 14 VAL HB H 1 2.060 0.02 . . . . . A 14 VAL HB . 25206 1
69 . 1 1 14 14 VAL HG11 H 1 0.780 0.02 . . . . . A 14 VAL HG11 . 25206 1
70 . 1 1 14 14 VAL HG12 H 1 0.780 0.02 . . . . . A 14 VAL HG12 . 25206 1
71 . 1 1 14 14 VAL HG13 H 1 0.780 0.02 . . . . . A 14 VAL HG13 . 25206 1
72 . 1 1 14 14 VAL HG21 H 1 0.900 0.02 . . . . . A 14 VAL HG21 . 25206 1
73 . 1 1 14 14 VAL HG22 H 1 0.900 0.02 . . . . . A 14 VAL HG22 . 25206 1
74 . 1 1 14 14 VAL HG23 H 1 0.900 0.02 . . . . . A 14 VAL HG23 . 25206 1
75 . 1 1 15 15 TYR H H 1 8.070 0.02 . . . . . A 15 TYR H . 25206 1
76 . 1 1 15 15 TYR HA H 1 4.070 0.02 . . . . . A 15 TYR HA . 25206 1
77 . 1 1 15 15 TYR HB2 H 1 3.020 0.02 . . . . . A 15 TYR HB2 . 25206 1
78 . 1 1 15 15 TYR HB3 H 1 3.080 0.02 . . . . . A 15 TYR HB3 . 25206 1
79 . 1 1 15 15 TYR HD1 H 1 7.060 0.02 . . . . . A 15 TYR HD1 . 25206 1
80 . 1 1 15 15 TYR HD2 H 1 7.060 0.02 . . . . . A 15 TYR HD2 . 25206 1
81 . 1 1 15 15 TYR HE1 H 1 6.730 0.02 . . . . . A 15 TYR HE1 . 25206 1
82 . 1 1 15 15 TYR HE2 H 1 6.730 0.02 . . . . . A 15 TYR HE2 . 25206 1
83 . 1 1 16 16 ASP H H 1 8.320 0.02 . . . . . A 16 ASP H . 25206 1
84 . 1 1 16 16 ASP HA H 1 4.300 0.02 . . . . . A 16 ASP HA . 25206 1
85 . 1 1 16 16 ASP HB2 H 1 2.850 0.02 . . . . . A 16 ASP HB2 . 25206 1
86 . 1 1 16 16 ASP HB3 H 1 2.690 0.02 . . . . . A 16 ASP HB3 . 25206 1
87 . 1 1 17 17 LYS H H 1 7.780 0.02 . . . . . A 17 LYS H . 25206 1
88 . 1 1 17 17 LYS HA H 1 4.070 0.02 . . . . . A 17 LYS HA . 25206 1
89 . 1 1 17 17 LYS HB2 H 1 1.880 0.02 . . . . . A 17 LYS HB2 . 25206 1
90 . 1 1 17 17 LYS HB3 H 1 1.880 0.02 . . . . . A 17 LYS HB3 . 25206 1
91 . 1 1 18 18 VAL H H 1 8.160 0.02 . . . . . A 18 VAL H . 25206 1
92 . 1 1 18 18 VAL HA H 1 3.730 0.02 . . . . . A 18 VAL HA . 25206 1
93 . 1 1 18 18 VAL HB H 1 2.060 0.02 . . . . . A 18 VAL HB . 25206 1
94 . 1 1 18 18 VAL HG11 H 1 0.920 0.02 . . . . . A 18 VAL HG11 . 25206 1
95 . 1 1 18 18 VAL HG12 H 1 0.920 0.02 . . . . . A 18 VAL HG12 . 25206 1
96 . 1 1 18 18 VAL HG13 H 1 0.920 0.02 . . . . . A 18 VAL HG13 . 25206 1
97 . 1 1 18 18 VAL HG21 H 1 0.820 0.02 . . . . . A 18 VAL HG21 . 25206 1
98 . 1 1 18 18 VAL HG22 H 1 0.820 0.02 . . . . . A 18 VAL HG22 . 25206 1
99 . 1 1 18 18 VAL HG23 H 1 0.820 0.02 . . . . . A 18 VAL HG23 . 25206 1
100 . 1 1 19 19 LYS H H 1 8.040 0.02 . . . . . A 19 LYS H . 25206 1
101 . 1 1 19 19 LYS HA H 1 3.990 0.02 . . . . . A 19 LYS HA . 25206 1
102 . 1 1 19 19 LYS HB2 H 1 1.620 0.02 . . . . . A 19 LYS HB2 . 25206 1
103 . 1 1 19 19 LYS HB3 H 1 1.620 0.02 . . . . . A 19 LYS HB3 . 25206 1
104 . 1 1 20 20 GLU H H 1 7.740 0.02 . . . . . A 20 GLU H . 25206 1
105 . 1 1 20 20 GLU HA H 1 4.140 0.02 . . . . . A 20 GLU HA . 25206 1
106 . 1 1 20 20 GLU HB2 H 1 2.020 0.02 . . . . . A 20 GLU HB2 . 25206 1
107 . 1 1 20 20 GLU HB3 H 1 2.100 0.02 . . . . . A 20 GLU HB3 . 25206 1
108 . 1 1 20 20 GLU HG2 H 1 2.470 0.02 . . . . . A 20 GLU HG2 . 25206 1
109 . 1 1 20 20 GLU HG3 H 1 2.470 0.02 . . . . . A 20 GLU HG3 . 25206 1
stop_
save_