###################################
# 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 20125
_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 1H-1H TOCSY' . . . 20125 1
2 '2D 1H-1H NOESY' . . . 20125 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 2 2 TRP HE1 H 1 10.712 0.000 . 3 . . . . 2 TRP HE1 . 20125 1
2 . 1 1 2 2 TRP HZ2 H 1 7.471 0.021 . 3 . . . . 2 TRP HZ2 . 20125 1
3 . 1 1 2 2 TRP HZ3 H 1 7.086 0.000 . 3 . . . . 2 TRP HZ3 . 20125 1
4 . 1 1 3 3 PRO HB2 H 1 2.378 0.001 . 1 . . . . 3 PRO HB2 . 20125 1
5 . 1 1 4 4 LEU H H 1 8.106 0.026 . 1 . . . . 4 LEU H . 20125 1
6 . 1 1 4 4 LEU HA H 1 3.652 0.000 . 1 . . . . 4 LEU HA . 20125 1
7 . 1 1 4 4 LEU HB2 H 1 1.587 0.007 . 1 . . . . 4 LEU HB . 20125 1
8 . 1 1 4 4 LEU HB3 H 1 1.587 0.007 . 1 . . . . 4 LEU HB . 20125 1
9 . 1 1 4 4 LEU HG H 1 1.504 0.000 . 1 . . . . 4 LEU HG . 20125 1
10 . 1 1 5 5 VAL H H 1 8.171 0.010 . 1 . . . . 5 VAL H . 20125 1
11 . 1 1 5 5 VAL HA H 1 3.665 0.015 . 1 . . . . 5 VAL HA . 20125 1
12 . 1 1 5 5 VAL HB H 1 2.192 0.021 . 1 . . . . 5 VAL HB . 20125 1
13 . 1 1 5 5 VAL HG11 H 1 0.905 0.000 . 1 . . . . 5 VAL HG13 . 20125 1
14 . 1 1 5 5 VAL HG12 H 1 1.044 0.002 . 1 . . . . 5 VAL HG12 . 20125 1
15 . 1 1 5 5 VAL HG13 H 1 0.905 0.000 . 1 . . . . 5 VAL HG13 . 20125 1
16 . 1 1 6 6 ILE H H 1 7.597 0.005 . 1 . . . . 6 ILE H . 20125 1
17 . 1 1 6 6 ILE HA H 1 4.110 0.005 . 1 . . . . 6 ILE HA . 20125 1
18 . 1 1 6 6 ILE HB H 1 1.994 0.007 . 1 . . . . 6 ILE HB . 20125 1
19 . 1 1 6 6 ILE HD11 H 1 0.892 0.000 . 2 . . . . 6 ILE HD . 20125 1
20 . 1 1 6 6 ILE HD12 H 1 0.892 0.000 . 2 . . . . 6 ILE HD . 20125 1
21 . 1 1 6 6 ILE HD13 H 1 0.892 0.000 . 2 . . . . 6 ILE HD . 20125 1
22 . 1 1 6 6 ILE HG21 H 1 1.600 0.001 . 2 . . . . 6 ILE HG21 . 20125 1
23 . 1 1 6 6 ILE HG22 H 1 1.197 0.000 . 2 . . . . 6 ILE HG23 . 20125 1
24 . 1 1 6 6 ILE HG23 H 1 1.197 0.000 . 2 . . . . 6 ILE HG23 . 20125 1
25 . 1 1 7 7 ARG H H 1 8.088 0.002 . 1 . . . . 7 ARG H . 20125 1
26 . 1 1 7 7 ARG HA H 1 3.986 0.019 . 1 . . . . 7 ARG HA . 20125 1
27 . 1 1 7 7 ARG HB2 H 1 1.965 0.008 . 2 . . . . 7 ARG HB2 . 20125 1
28 . 1 1 7 7 ARG HB3 H 1 1.828 0.002 . 2 . . . . 7 ARG HB3 . 20125 1
29 . 1 1 7 7 ARG HD2 H 1 3.223 0.000 . 1 . . . . 7 ARG HD . 20125 1
30 . 1 1 7 7 ARG HD3 H 1 3.223 0.000 . 1 . . . . 7 ARG HD . 20125 1
31 . 1 1 7 7 ARG HG2 H 1 1.718 0.000 . 1 . . . . 7 ARG HG . 20125 1
32 . 1 1 7 7 ARG HG3 H 1 1.718 0.000 . 1 . . . . 7 ARG HG . 20125 1
33 . 1 1 8 8 THR H H 1 7.990 0.013 . 1 . . . . 8 THR H . 20125 1
34 . 1 1 8 8 THR HA H 1 4.296 0.009 . 1 . . . . 8 THR HA . 20125 1
35 . 1 1 8 8 THR HB H 1 3.854 0.008 . 1 . . . . 8 THR HB . 20125 1
36 . 1 1 8 8 THR HG21 H 1 1.163 0.002 . 2 . . . . 8 THR HG2 . 20125 1
37 . 1 1 8 8 THR HG22 H 1 1.163 0.002 . 2 . . . . 8 THR HG2 . 20125 1
38 . 1 1 8 8 THR HG23 H 1 1.163 0.002 . 2 . . . . 8 THR HG2 . 20125 1
39 . 1 1 9 9 VAL H H 1 8.089 0.001 . 1 . . . . 9 VAL H . 20125 1
40 . 1 1 9 9 VAL HA H 1 3.639 0.003 . 1 . . . . 9 VAL HA . 20125 1
41 . 1 1 9 9 VAL HB H 1 2.216 0.003 . 1 . . . . 9 VAL HB . 20125 1
42 . 1 1 9 9 VAL HG11 H 1 0.910 0.004 . 2 . . . . 9 VAL HG13 . 20125 1
43 . 1 1 9 9 VAL HG12 H 1 1.050 0.004 . 2 . . . . 9 VAL HG12 . 20125 1
44 . 1 1 9 9 VAL HG13 H 1 0.910 0.004 . 2 . . . . 9 VAL HG13 . 20125 1
45 . 1 1 10 10 ILE H H 1 8.178 0.001 . 1 . . . . 10 ILE H . 20125 1
46 . 1 1 10 10 ILE HB H 1 1.897 0.006 . 1 . . . . 10 ILE HB . 20125 1
47 . 1 1 10 10 ILE HD11 H 1 0.812 0.000 . 2 . . . . 10 ILE HD1 . 20125 1
48 . 1 1 10 10 ILE HD12 H 1 0.812 0.000 . 2 . . . . 10 ILE HD1 . 20125 1
49 . 1 1 10 10 ILE HD13 H 1 0.812 0.000 . 2 . . . . 10 ILE HD1 . 20125 1
50 . 1 1 10 10 ILE HG12 H 1 0.985 0.004 . 2 . . . . 10 ILE HG12 . 20125 1
51 . 1 1 10 10 ILE HG21 H 1 1.817 0.003 . 2 . . . . 10 ILE HG21 . 20125 1
52 . 1 1 10 10 ILE HG22 H 1 1.817 0.003 . 2 . . . . 10 ILE HG21 . 20125 1
53 . 1 1 10 10 ILE HG23 H 1 1.817 0.003 . 2 . . . . 10 ILE HG21 . 20125 1
54 . 1 1 11 11 ALA H H 1 8.037 0.003 . 1 . . . . 11 ALA H . 20125 1
55 . 1 1 11 11 ALA HA H 1 4.301 0.006 . 1 . . . . 11 ALA HA . 20125 1
56 . 1 1 11 11 ALA HB1 H 1 1.602 0.001 . 1 . . . . 11 ALA HB . 20125 1
57 . 1 1 11 11 ALA HB2 H 1 1.602 0.001 . 1 . . . . 11 ALA HB . 20125 1
58 . 1 1 11 11 ALA HB3 H 1 1.602 0.001 . 1 . . . . 11 ALA HB . 20125 1
59 . 1 1 12 12 GLY H H 1 8.785 0.002 . 1 . . . . 12 GLY H . 20125 1
60 . 1 1 12 12 GLY HA2 H 1 3.781 0.003 . 1 . . . . 12 GLY HA2 . 20125 1
61 . 1 1 12 12 GLY HA3 H 1 3.649 0.013 . 1 . . . . 12 GLY HA3 . 20125 1
62 . 1 1 13 13 TYR H H 1 8.769 0.029 . 1 . . . . 13 TYR H . 20125 1
63 . 1 1 13 13 TYR HA H 1 4.259 0.007 . 1 . . . . 13 TYR HA . 20125 1
64 . 1 1 13 13 TYR HB2 H 1 3.285 0.005 . 2 . . . . 13 TYR HB2 . 20125 1
65 . 1 1 13 13 TYR HB3 H 1 3.033 0.015 . 2 . . . . 13 TYR HB3 . 20125 1
66 . 1 1 13 13 TYR HD1 H 1 7.014 0.003 . 2 . . . . 13 TYR HD1 . 20125 1
67 . 1 1 14 14 ASN H H 1 8.585 0.001 . 1 . . . . 14 ASN H . 20125 1
68 . 1 1 14 14 ASN HA H 1 4.408 0.215 . 1 . . . . 14 ASN HA . 20125 1
69 . 1 1 14 14 ASN HB2 H 1 3.004 0.001 . 2 . . . . 14 ASN HB2 . 20125 1
70 . 1 1 14 14 ASN HB3 H 1 2.734 0.002 . 2 . . . . 14 ASN HB3 . 20125 1
71 . 1 1 15 15 LEU H H 1 8.245 0.002 . 1 . . . . 15 LEU H . 20125 1
72 . 1 1 15 15 LEU HA H 1 4.181 0.001 . 1 . . . . 15 LEU HA . 20125 1
73 . 1 1 15 15 LEU HB2 H 1 1.907 0.004 . 1 . . . . 15 LEU HB2 . 20125 1
74 . 1 1 15 15 LEU HB3 H 1 1.823 0.000 . 1 . . . . 15 LEU HB3 . 20125 1
75 . 1 1 15 15 LEU HD11 H 1 0.956 0.016 . 2 . . . . 15 LEU HD . 20125 1
76 . 1 1 15 15 LEU HD12 H 1 0.956 0.016 . 2 . . . . 15 LEU HD . 20125 1
77 . 1 1 15 15 LEU HD13 H 1 0.956 0.016 . 2 . . . . 15 LEU HD . 20125 1
78 . 1 1 15 15 LEU HD21 H 1 0.956 0.016 . 2 . . . . 15 LEU HD . 20125 1
79 . 1 1 15 15 LEU HD22 H 1 0.956 0.016 . 2 . . . . 15 LEU HD . 20125 1
80 . 1 1 15 15 LEU HD23 H 1 0.956 0.016 . 2 . . . . 15 LEU HD . 20125 1
81 . 1 1 16 16 TYR H H 1 8.362 0.002 . 1 . . . . 16 TYR H . 20125 1
82 . 1 1 16 16 TYR HA H 1 3.972 0.003 . 1 . . . . 16 TYR HA . 20125 1
83 . 1 1 16 16 TYR HB2 H 1 3.275 0.002 . 2 . . . . 16 TYR HB2 . 20125 1
84 . 1 1 16 16 TYR HB3 H 1 3.014 0.002 . 2 . . . . 16 TYR HB3 . 20125 1
85 . 1 1 16 16 TYR HD1 H 1 6.820 0.002 . 2 . . . . 16 TYR HD1 . 20125 1
86 . 1 1 16 16 TYR HE1 H 1 6.767 0.022 . 1 . . . . 16 TYR HE1 . 20125 1
87 . 1 1 17 17 ARG H H 1 8.183 0.065 . 1 . . . . 17 ARG H . 20125 1
88 . 1 1 17 17 ARG HA H 1 3.590 0.101 . 1 . . . . 17 ARG HA . 20125 1
89 . 1 1 17 17 ARG HB2 H 1 1.806 0.103 . 1 . . . . 17 ARG HB2 . 20125 1
90 . 1 1 17 17 ARG HB3 H 1 1.488 0.009 . 1 . . . . 17 ARG HB3 . 20125 1
91 . 1 1 17 17 ARG HG2 H 1 1.526 0.208 . 2 . . . . 17 ARG HG . 20125 1
92 . 1 1 17 17 ARG HG3 H 1 1.526 0.208 . 2 . . . . 17 ARG HG . 20125 1
93 . 1 1 18 18 ALA H H 1 7.631 0.001 . 1 . . . . 18 ALA H . 20125 1
94 . 1 1 18 18 ALA HA H 1 4.124 0.000 . 1 . . . . 18 ALA HA . 20125 1
95 . 1 1 18 18 ALA HB1 H 1 1.508 0.000 . 1 . . . . 18 ALA HB . 20125 1
96 . 1 1 18 18 ALA HB2 H 1 1.508 0.000 . 1 . . . . 18 ALA HB . 20125 1
97 . 1 1 18 18 ALA HB3 H 1 1.508 0.000 . 1 . . . . 18 ALA HB . 20125 1
98 . 1 1 19 19 ILE H H 1 7.800 0.002 . 1 . . . . 19 ILE H . 20125 1
99 . 1 1 19 19 ILE HA H 1 3.895 0.001 . 1 . . . . 19 ILE HA . 20125 1
100 . 1 1 19 19 ILE HB H 1 1.846 0.001 . 1 . . . . 19 ILE HB . 20125 1
101 . 1 1 19 19 ILE HD11 H 1 0.871 0.002 . 2 . . . . 19 ILE HD1 . 20125 1
102 . 1 1 19 19 ILE HD12 H 1 0.871 0.002 . 2 . . . . 19 ILE HD1 . 20125 1
103 . 1 1 19 19 ILE HD13 H 1 0.871 0.002 . 2 . . . . 19 ILE HD1 . 20125 1
104 . 1 1 19 19 ILE HG21 H 1 1.647 0.000 . 2 . . . . 19 ILE HG21 . 20125 1
105 . 1 1 19 19 ILE HG22 H 1 1.285 0.045 . 2 . . . . 19 ILE HG23 . 20125 1
106 . 1 1 19 19 ILE HG23 H 1 1.285 0.045 . 2 . . . . 19 ILE HG23 . 20125 1
107 . 1 1 20 20 LYS H H 1 7.728 0.002 . 1 . . . . 20 LYS H . 20125 1
108 . 1 1 20 20 LYS HA H 1 4.087 0.001 . 1 . . . . 20 LYS HA . 20125 1
109 . 1 1 20 20 LYS HB2 H 1 1.823 0.000 . 1 . . . . 20 LYS HB2 . 20125 1
110 . 1 1 20 20 LYS HG2 H 1 1.428 0.009 . 2 . . . . 20 LYS HG . 20125 1
111 . 1 1 20 20 LYS HG3 H 1 1.428 0.009 . 2 . . . . 20 LYS HG . 20125 1
112 . 1 1 21 21 LYS H H 1 7.632 0.002 . 1 . . . . 21 LYS H . 20125 1
113 . 1 1 21 21 LYS HA H 1 4.174 0.000 . 1 . . . . 21 LYS HA . 20125 1
114 . 1 1 21 21 LYS HB2 H 1 1.842 0.000 . 1 . . . . 21 LYS HB2 . 20125 1
115 . 1 1 22 22 LYS H H 1 7.742 0.000 . 1 . . . . 22 LYS H . 20125 1
116 . 1 1 22 22 LYS HA H 1 4.133 0.000 . 1 . . . . 22 LYS HA . 20125 1
stop_
save_