###################################
# 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 15979
_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 NOESY' . . . 15979 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $DYANA . . 15979 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 LEU HA H 1 4.06 0.020 . 1 . . . . 1 LEU HA . 15979 1
2 . 1 1 1 1 LEU HB3 H 1 1.68 0.020 . 2 . . . . 1 LEU HB3 . 15979 1
3 . 1 1 2 2 VAL H H 1 8.60 0.020 . 1 . . . . 2 VAL H . 15979 1
4 . 1 1 2 2 VAL HA H 1 4.17 0.020 . 1 . . . . 2 VAL HA . 15979 1
5 . 1 1 2 2 VAL HB H 1 2.00 0.020 . 1 . . . . 2 VAL HB . 15979 1
6 . 1 1 2 2 VAL HG11 H 1 0.94 0.020 . 2 . . . . 2 VAL HG1 . 15979 1
7 . 1 1 2 2 VAL HG12 H 1 0.94 0.020 . 2 . . . . 2 VAL HG1 . 15979 1
8 . 1 1 2 2 VAL HG13 H 1 0.94 0.020 . 2 . . . . 2 VAL HG1 . 15979 1
9 . 1 1 2 2 VAL HG21 H 1 0.94 0.020 . 2 . . . . 2 VAL HG2 . 15979 1
10 . 1 1 2 2 VAL HG22 H 1 0.94 0.020 . 2 . . . . 2 VAL HG2 . 15979 1
11 . 1 1 2 2 VAL HG23 H 1 0.94 0.020 . 2 . . . . 2 VAL HG2 . 15979 1
12 . 1 1 3 3 ILE H H 1 8.48 0.020 . 1 . . . . 3 ILE H . 15979 1
13 . 1 1 3 3 ILE HA H 1 4.17 0.020 . 1 . . . . 3 ILE HA . 15979 1
14 . 1 1 3 3 ILE HB H 1 1.83 0.020 . 1 . . . . 3 ILE HB . 15979 1
15 . 1 1 3 3 ILE HD11 H 1 0.89 0.020 . 1 . . . . 3 ILE HD1 . 15979 1
16 . 1 1 3 3 ILE HD12 H 1 0.89 0.020 . 1 . . . . 3 ILE HD1 . 15979 1
17 . 1 1 3 3 ILE HD13 H 1 0.89 0.020 . 1 . . . . 3 ILE HD1 . 15979 1
18 . 1 1 3 3 ILE HG12 H 1 1.47 0.020 . 2 . . . . 3 ILE HG12 . 15979 1
19 . 1 1 3 3 ILE HG13 H 1 1.19 0.020 . 2 . . . . 3 ILE HG13 . 15979 1
20 . 1 1 4 4 ARG H H 1 8.52 0.020 . 1 . . . . 4 ARG H . 15979 1
21 . 1 1 4 4 ARG HA H 1 4.44 0.020 . 1 . . . . 4 ARG HA . 15979 1
22 . 1 1 4 4 ARG HB2 H 1 1.83 0.020 . 2 . . . . 4 ARG HB2 . 15979 1
23 . 1 1 4 4 ARG HB3 H 1 1.75 0.020 . 2 . . . . 4 ARG HB3 . 15979 1
24 . 1 1 4 4 ARG HD2 H 1 3.19 0.020 . 2 . . . . 4 ARG HD2 . 15979 1
25 . 1 1 4 4 ARG HE H 1 7.18 0.020 . 1 . . . . 4 ARG HE . 15979 1
26 . 1 1 4 4 ARG HG2 H 1 1.56 0.020 . 2 . . . . 4 ARG HG2 . 15979 1
27 . 1 1 4 4 ARG HG3 H 1 1.64 0.020 . 2 . . . . 4 ARG HG3 . 15979 1
28 . 1 1 5 5 THR H H 1 8.23 0.020 . 1 . . . . 5 THR H . 15979 1
29 . 1 1 5 5 THR HA H 1 4.32 0.020 . 1 . . . . 5 THR HA . 15979 1
30 . 1 1 5 5 THR HB H 1 4.12 0.020 . 1 . . . . 5 THR HB . 15979 1
31 . 1 1 5 5 THR HG21 H 1 1.18 0.020 . 1 . . . . 5 THR HG2 . 15979 1
32 . 1 1 5 5 THR HG22 H 1 1.18 0.020 . 1 . . . . 5 THR HG2 . 15979 1
33 . 1 1 5 5 THR HG23 H 1 1.18 0.020 . 1 . . . . 5 THR HG2 . 15979 1
34 . 1 1 6 6 VAL H H 1 8.27 0.020 . 1 . . . . 6 VAL H . 15979 1
35 . 1 1 6 6 VAL HA H 1 4.13 0.020 . 1 . . . . 6 VAL HA . 15979 1
36 . 1 1 6 6 VAL HB H 1 2.04 0.020 . 1 . . . . 6 VAL HB . 15979 1
37 . 1 1 6 6 VAL HG11 H 1 0.89 0.020 . 2 . . . . 6 VAL HG1 . 15979 1
38 . 1 1 6 6 VAL HG12 H 1 0.89 0.020 . 2 . . . . 6 VAL HG1 . 15979 1
39 . 1 1 6 6 VAL HG13 H 1 0.89 0.020 . 2 . . . . 6 VAL HG1 . 15979 1
40 . 1 1 6 6 VAL HG21 H 1 0.89 0.020 . 2 . . . . 6 VAL HG2 . 15979 1
41 . 1 1 6 6 VAL HG22 H 1 0.89 0.020 . 2 . . . . 6 VAL HG2 . 15979 1
42 . 1 1 6 6 VAL HG23 H 1 0.89 0.020 . 2 . . . . 6 VAL HG2 . 15979 1
43 . 1 1 7 7 ILE H H 1 8.27 0.020 . 1 . . . . 7 ILE H . 15979 1
44 . 1 1 7 7 ILE HA H 1 4.13 0.020 . 1 . . . . 7 ILE HA . 15979 1
45 . 1 1 7 7 ILE HB H 1 1.83 0.020 . 1 . . . . 7 ILE HB . 15979 1
46 . 1 1 7 7 ILE HG13 H 1 1.17 0.020 . 2 . . . . 7 ILE HG13 . 15979 1
47 . 1 1 7 7 ILE HG21 H 1 1.09 0.020 . 1 . . . . 7 ILE HG2 . 15979 1
48 . 1 1 7 7 ILE HG22 H 1 1.09 0.020 . 1 . . . . 7 ILE HG2 . 15979 1
49 . 1 1 7 7 ILE HG23 H 1 1.09 0.020 . 1 . . . . 7 ILE HG2 . 15979 1
50 . 1 1 8 8 ALA H H 1 8.43 0.020 . 1 . . . . 8 ALA H . 15979 1
51 . 1 1 8 8 ALA HA H 1 4.30 0.020 . 1 . . . . 8 ALA HA . 15979 1
52 . 1 1 8 8 ALA HB1 H 1 1.37 0.020 . 1 . . . . 8 ALA HB . 15979 1
53 . 1 1 8 8 ALA HB2 H 1 1.37 0.020 . 1 . . . . 8 ALA HB . 15979 1
54 . 1 1 8 8 ALA HB3 H 1 1.37 0.020 . 1 . . . . 8 ALA HB . 15979 1
55 . 1 1 9 9 GLY H H 1 8.34 0.020 . 1 . . . . 9 GLY H . 15979 1
56 . 1 1 9 9 GLY HA2 H 1 3.90 0.020 . 2 . . . . 9 GLY HA2 . 15979 1
57 . 1 1 9 9 GLY HA3 H 1 3.90 0.020 . 2 . . . . 9 GLY HA3 . 15979 1
58 . 1 1 10 10 TYR H H 1 8.00 0.020 . 1 . . . . 10 TYR H . 15979 1
59 . 1 1 10 10 TYR HA H 1 4.51 0.020 . 1 . . . . 10 TYR HA . 15979 1
60 . 1 1 10 10 TYR HB2 H 1 2.99 0.020 . 2 . . . . 10 TYR HB2 . 15979 1
61 . 1 1 10 10 TYR HB3 H 1 2.99 0.020 . 2 . . . . 10 TYR HB3 . 15979 1
62 . 1 1 10 10 TYR HD2 H 1 7.09 0.020 . 1 . . . . 10 TYR HD2 . 15979 1
63 . 1 1 10 10 TYR HE2 H 1 6.81 0.020 . 1 . . . . 10 TYR HE2 . 15979 1
64 . 1 1 11 11 ASN H H 1 8.34 0.020 . 1 . . . . 11 ASN H . 15979 1
65 . 1 1 11 11 ASN HA H 1 4.59 0.020 . 1 . . . . 11 ASN HA . 15979 1
66 . 1 1 11 11 ASN HB2 H 1 2.65 0.020 . 2 . . . . 11 ASN HB2 . 15979 1
67 . 1 1 11 11 ASN HB3 H 1 2.73 0.020 . 2 . . . . 11 ASN HB3 . 15979 1
68 . 1 1 11 11 ASN HD21 H 1 7.60 0.020 . 2 . . . . 11 ASN HD21 . 15979 1
69 . 1 1 11 11 ASN HD22 H 1 6.94 0.020 . 2 . . . . 11 ASN HD22 . 15979 1
70 . 1 1 12 12 LEU H H 1 7.95 0.020 . 1 . . . . 12 LEU H . 15979 1
71 . 1 1 12 12 LEU HA H 1 4.18 0.020 . 1 . . . . 12 LEU HA . 15979 1
72 . 1 1 12 12 LEU HB3 H 1 1.46 0.020 . 2 . . . . 12 LEU HB3 . 15979 1
73 . 1 1 12 12 LEU HD11 H 1 0.88 0.020 . 2 . . . . 12 LEU HD1 . 15979 1
74 . 1 1 12 12 LEU HD12 H 1 0.88 0.020 . 2 . . . . 12 LEU HD1 . 15979 1
75 . 1 1 12 12 LEU HD13 H 1 0.88 0.020 . 2 . . . . 12 LEU HD1 . 15979 1
76 . 1 1 12 12 LEU HD21 H 1 0.82 0.020 . 2 . . . . 12 LEU HD2 . 15979 1
77 . 1 1 12 12 LEU HD22 H 1 0.82 0.020 . 2 . . . . 12 LEU HD2 . 15979 1
78 . 1 1 12 12 LEU HD23 H 1 0.82 0.020 . 2 . . . . 12 LEU HD2 . 15979 1
79 . 1 1 13 13 TYR H H 1 8.08 0.020 . 1 . . . . 13 TYR H . 15979 1
80 . 1 1 13 13 TYR HA H 1 4.51 0.020 . 1 . . . . 13 TYR HA . 15979 1
81 . 1 1 13 13 TYR HB2 H 1 3.04 0.020 . 2 . . . . 13 TYR HB2 . 15979 1
82 . 1 1 13 13 TYR HB3 H 1 2.97 0.020 . 2 . . . . 13 TYR HB3 . 15979 1
83 . 1 1 13 13 TYR HD2 H 1 7.09 0.020 . 1 . . . . 13 TYR HD2 . 15979 1
84 . 1 1 13 13 TYR HE2 H 1 6.81 0.020 . 1 . . . . 13 TYR HE2 . 15979 1
85 . 1 1 14 14 ARG H H 1 7.91 0.020 . 1 . . . . 14 ARG H . 15979 1
86 . 1 1 14 14 ARG HA H 1 4.23 0.020 . 1 . . . . 14 ARG HA . 15979 1
87 . 1 1 14 14 ARG HB2 H 1 1.76 0.020 . 2 . . . . 14 ARG HB2 . 15979 1
88 . 1 1 14 14 ARG HB3 H 1 1.66 0.020 . 2 . . . . 14 ARG HB3 . 15979 1
89 . 1 1 14 14 ARG HD2 H 1 3.15 0.020 . 2 . . . . 14 ARG HD2 . 15979 1
90 . 1 1 14 14 ARG HE H 1 7.15 0.020 . 1 . . . . 14 ARG HE . 15979 1
91 . 1 1 14 14 ARG HG2 H 1 1.53 0.020 . 2 . . . . 14 ARG HG2 . 15979 1
92 . 1 1 15 15 ALA H H 1 8.13 0.020 . 1 . . . . 15 ALA H . 15979 1
93 . 1 1 15 15 ALA HA H 1 4.27 0.020 . 1 . . . . 15 ALA HA . 15979 1
94 . 1 1 15 15 ALA HB1 H 1 1.37 0.020 . 1 . . . . 15 ALA HB . 15979 1
95 . 1 1 15 15 ALA HB2 H 1 1.37 0.020 . 1 . . . . 15 ALA HB . 15979 1
96 . 1 1 15 15 ALA HB3 H 1 1.37 0.020 . 1 . . . . 15 ALA HB . 15979 1
97 . 1 1 16 16 ILE H H 1 8.08 0.020 . 1 . . . . 16 ILE H . 15979 1
98 . 1 1 16 16 ILE HA H 1 4.12 0.020 . 1 . . . . 16 ILE HA . 15979 1
99 . 1 1 16 16 ILE HB H 1 1.83 0.020 . 1 . . . . 16 ILE HB . 15979 1
100 . 1 1 16 16 ILE HD11 H 1 0.88 0.020 . 1 . . . . 16 ILE HD1 . 15979 1
101 . 1 1 16 16 ILE HD12 H 1 0.88 0.020 . 1 . . . . 16 ILE HD1 . 15979 1
102 . 1 1 16 16 ILE HD13 H 1 0.88 0.020 . 1 . . . . 16 ILE HD1 . 15979 1
103 . 1 1 16 16 ILE HG13 H 1 1.19 0.020 . 2 . . . . 16 ILE HG13 . 15979 1
104 . 1 1 16 16 ILE HG21 H 1 0.96 0.020 . 1 . . . . 16 ILE HG2 . 15979 1
105 . 1 1 16 16 ILE HG22 H 1 0.96 0.020 . 1 . . . . 16 ILE HG2 . 15979 1
106 . 1 1 16 16 ILE HG23 H 1 0.96 0.020 . 1 . . . . 16 ILE HG2 . 15979 1
107 . 1 1 17 17 LYS H H 1 8.37 0.020 . 1 . . . . 17 LYS H . 15979 1
108 . 1 1 17 17 LYS HA H 1 4.33 0.020 . 1 . . . . 17 LYS HA . 15979 1
109 . 1 1 17 17 LYS HB2 H 1 1.81 0.020 . 2 . . . . 17 LYS HB2 . 15979 1
110 . 1 1 17 17 LYS HB3 H 1 1.74 0.020 . 2 . . . . 17 LYS HB3 . 15979 1
111 . 1 1 17 17 LYS HD3 H 1 1.44 0.020 . 2 . . . . 17 LYS HD3 . 15979 1
112 . 1 1 17 17 LYS HE3 H 1 2.99 0.020 . 2 . . . . 17 LYS HE3 . 15979 1
113 . 1 1 18 18 LYS H H 1 8.40 0.020 . 1 . . . . 18 LYS H . 15979 1
114 . 1 1 18 18 LYS HA H 1 4.28 0.020 . 1 . . . . 18 LYS HA . 15979 1
115 . 1 1 18 18 LYS HB2 H 1 1.83 0.020 . 2 . . . . 18 LYS HB2 . 15979 1
116 . 1 1 18 18 LYS HB3 H 1 1.75 0.020 . 2 . . . . 18 LYS HB3 . 15979 1
117 . 1 1 18 18 LYS HE3 H 1 2.99 0.020 . 2 . . . . 18 LYS HE3 . 15979 1
118 . 1 1 18 18 LYS HG2 H 1 1.43 0.020 . 2 . . . . 18 LYS HG2 . 15979 1
119 . 1 1 19 19 LYS H H 1 8.00 0.020 . 1 . . . . 19 LYS H . 15979 1
120 . 1 1 19 19 LYS HA H 1 4.13 0.020 . 1 . . . . 19 LYS HA . 15979 1
121 . 1 1 19 19 LYS HB2 H 1 1.81 0.020 . 2 . . . . 19 LYS HB2 . 15979 1
122 . 1 1 19 19 LYS HB3 H 1 1.74 0.020 . 2 . . . . 19 LYS HB3 . 15979 1
123 . 1 1 19 19 LYS HE3 H 1 2.99 0.020 . 2 . . . . 19 LYS HE3 . 15979 1
124 . 1 1 19 19 LYS HG2 H 1 1.36 0.020 . 2 . . . . 19 LYS HG2 . 15979 1
stop_
save_